(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)

C130H227F3N12O17 — CID 159847325

About (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)

(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane) (PubChem CID 159847325) has the molecular formula C130H227F3N12O17 and a molecular weight of 2287.31 g/mol. Its IUPAC name is (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane).

Molecular Properties

• Compound Name: (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)
• PubChem CID: 159847325
• Molecular Formula: C130H227F3N12O17
• Molecular Weight: 2287.31 g/mol
• Exact Mass: 2285.72
• IUPAC Name: (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)
• SMILES: C#CC(=O)C(C)(C)C.C#CC(=O)NC(C)(C)C.C#CC(=O)OCC(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(=O)OCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CC(=O)C1(C(=O)OCC(C)(C)C)CC1.CC(C)(C)C(=O)C1(C#N)CC1.CC(C)C.CC(C)C.CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CN(C)C/C=C/C(=O)N(C)CC(C)(C)C.NC(=O)C1=C(F)CCC1.NC(=O)C1=C(F)CCCC1
• InChI: InChI=1S/C14H26N2O.C13H26N2O.C12H24N2O.C11H19NO.C11H18O3.C9H16FNO.C9H13NO.C8H14O2.C8H12O2.C7H10FNO.C7H11NO.C7H10O.C6H8FNO.2C4H10/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6;1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6;1-12(2,3)10-14(6)11(15)8-7-9-13(4)5;1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-8(12)11(5-6-11)9(13)14-7-10(2,3)4;1-6(7(2)10)8(12)11-9(3,4)5;1-8(2,3)7(11)9(6-10)4-5-9;2*1-5-7(9)10-6-8(2,3)4;8-6-4-2-1-3-5(6)7(9)10;1-5-6(9)8-7(2,3)4;1-5-6(8)7(2,3)4;7-5-3-1-2-4(5)6(8)9;2*1-4(2)3/h7-9H,1,10-12H2,2-6H3;8-9H,7,10-11H2,1-6H3;7-8H,9-10H2,1-6H3;5,9H,1,6-8H2,2-4H3;5-7H2,1-4H3;1-5H3,(H,11,12);4-5H2,1-3H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;1-4H2,(H2,9,10);1H,2-4H3,(H,8,9);1H,2-4H3;1-3H2,(H2,8,9);2*4H,1-3H3/b2*9-8+;8-7+;;;7-6-
• InChIKey: NPMAFTIARPKREJ-ZZPUCUCYSA-N
• XLogP: 24.07
• TPSA: 389.24 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 21
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2287.31
LogP ≤ 5	24.07
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)?

The IUPAC name of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane) (CID 159847325) is (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane).

What is the SMILES notation for (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)?

The canonical SMILES for (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane) is C#CC(=O)C(C)(C)C.C#CC(=O)NC(C)(C)C.C#CC(=O)OCC(C)(C)C.C/C(F)=C(\C)C(=O)NC(C)(C)C.C=CC(=O)N1CCC(C(C)(C)C)C1.C=CC(=O)OCC(C)(C)C.C=CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CC(=O)C1(C(=O)OCC(C)(C)C)CC1.CC(C)(C)C(=O)C1(C#N)CC1.CC(C)C.CC(C)C.CCN(CC(C)(C)C)C(=O)/C=C/CN(C)C.CN(C)C/C=C/C(=O)N(C)CC(C)(C)C.NC(=O)C1=C(F)CCC1.NC(=O)C1=C(F)CCCC1.

What is the InChIKey of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)?

The InChIKey is NPMAFTIARPKREJ-ZZPUCUCYSA-N. The full InChI is InChI=1S/C14H26N2O.C13H26N2O.C12H24N2O.C11H19NO.C11H18O3.C9H16FNO.C9H13NO.C8H14O2.C8H12O2.C7H10FNO.C7H11NO.C7H10O.C6H8FNO.2C4H10/c1-7-10-16(12-14(2,3)4)13(17)9-8-11-15(5)6;1-7-15(11-13(2,3)4)12(16)9-8-10-14(5)6;1-12(2,3)10-14(6)11(15)8-7-9-13(4)5;1-5-10(13)12-7-6-9(8-12)11(2,3)4;1-8(12)11(5-6-11)9(13)14-7-10(2,3)4;1-6(7(2)10)8(12)11-9(3,4)5;1-8(2,3)7(11)9(6-10)4-5-9;2*1-5-7(9)10-6-8(2,3)4;8-6-4-2-1-3-5(6)7(9)10;1-5-6(9)8-7(2,3)4;1-5-6(8)7(2,3)4;7-5-3-1-2-4(5)6(8)9;2*1-4(2)3/h7-9H,1,10-12H2,2-6H3;8-9H,7,10-11H2,1-6H3;7-8H,9-10H2,1-6H3;5,9H,1,6-8H2,2-4H3;5-7H2,1-4H3;1-5H3,(H,11,12);4-5H2,1-3H3;5H,1,6H2,2-4H3;1H,6H2,2-4H3;1-4H2,(H2,9,10);1H,2-4H3,(H,8,9);1H,2-4H3;1-3H2,(H2,8,9);2*4H,1-3H3/b2*9-8+;8-7+;;;7-6-;;;;;;;;;.

What are the key properties of (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane)?

(Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane) has a molecular weight of 2287.31 g/mol, XLogP of 24.07, 26 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-N-tert-butyl-3-fluoro-2-methylbut-2-enamide;N-tert-butylprop-2-ynamide;1-(3-tert-butylpyrrolidin-1-yl)prop-2-en-1-one;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-ethylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-methylbut-2-enamide;(E)-4-(dimethylamino)-N-(2,2-dimethylpropyl)-N-prop-2-enylbut-2-enamide;4,4-dimethylpent-1-yn-3-one;1-(2,2-dimethylpropanoyl)cyclopropane-1-carbonitrile;2,2-dimethylpropyl 1-acetylcyclopropane-1-carboxylate;2,2-dimethylpropyl prop-2-enoate;2,2-dimethylpropyl prop-2-ynoate;2-fluorocyclohexene-1-carboxamide;2-fluorocyclopentene-1-carboxamide;bis(2-methylpropane) is sourced from PubChem (CID 159847325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).