butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine

C147H334FN13O8S — CID 167593497

About butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine

butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine (PubChem CID 167593497) has the molecular formula C147H334FN13O8S and a molecular weight of 2463.44 g/mol. Its IUPAC name is butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine.

Molecular Properties

• Compound Name: butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine
• PubChem CID: 167593497
• Molecular Formula: C147H334FN13O8S
• Molecular Weight: 2463.44 g/mol
• Exact Mass: 2461.58
• IUPAC Name: butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine
• SMILES: C=C(C)C1CC1.CC(C)C.CC(C)F.CC1CCC1.CC1CCC1.CC1CCCCC1.CC1CCOC1.CC1CN(C)C1.CCC.CCC.CCC.CCC.CCC(=O)OC.CCC(C)=O.CCC(C)=O.CCCC.CCCC.CCCC(C)C.CCCCC.CCCCN(C)C.CCCCN1CC(N(C)C)C1.CCCCN1CCC(N(C)C)C1.CCCCN1CCC(N(C)C)CC1.CCCN(C)C.CCCN1CC(N(C)C)C1.CCCN1CCC1.CCN(C)C.CCOC.CS(C)(=O)=O
• InChI: InChI=1S/C11H24N2.C10H22N2.C9H20N2.C8H18N2.C7H14.C6H13N.C6H15N.C6H10.C6H14.C5H11N.C5H13N.C5H10O.2C5H10.C5H12.C4H11N.C4H8O2.2C4H8O.3C4H10.C3H7F.C3H8O.4C3H8.C2H6O2S/c1-4-5-8-13-9-6-11(7-10-13)12(2)3;1-4-5-7-12-8-6-10(9-12)11(2)3;1-4-5-6-11-7-9(8-11)10(2)3;1-4-5-10-6-8(7-10)9(2)3;1-7-5-3-2-4-6-7;1-2-4-7-5-3-6-7;1-4-5-6-7(2)3;1-5(2)6-3-4-6;1-4-5-6(2)3;1-5-3-6(2)4-5;1-4-5-6(2)3;1-5-2-3-6-4-5;2*1-5-3-2-4-5;1-3-5-4-2;1-4-5(2)3;1-3-4(5)6-2;2*1-3-4(2)5;1-4(2)3;2*1-3-4-2;1-3(2)4;1-3-4-2;4*1-3-2;1-5(2,3)4/h11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,2-6H2,1H3;2-6H2,1H3;4-6H2,1-3H3;6H,1,3-4H2,2H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3;4-5H2,1-3H3;5H,2-4H2,1H3;2*5H,2-4H2,1H3;3-5H2,1-2H3;4H2,1-3H3;3H2,1-2H3;2*3H2,1-2H3;4H,1-3H3;2*3-4H2,1-2H3;3H,1-2H3;3H2,1-2H3;4*3H2,1-2H3;1-2H3
• InChIKey: ISOMBZSCZXXDAL-UHFFFAOYSA-N
• XLogP: 38.47
• TPSA: 155.16 Ų
• H-Bond Acceptors: 21
• Rotatable Bonds: 34
• Heavy Atoms: 170
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2463.44
LogP ≤ 5	38.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine?

The IUPAC name of butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine (CID 167593497) is butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine.

What is the SMILES notation for butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine?

The canonical SMILES for butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine is C=C(C)C1CC1.CC(C)C.CC(C)F.CC1CCC1.CC1CCC1.CC1CCCCC1.CC1CCOC1.CC1CN(C)C1.CCC.CCC.CCC.CCC.CCC(=O)OC.CCC(C)=O.CCC(C)=O.CCCC.CCCC.CCCC(C)C.CCCCC.CCCCN(C)C.CCCCN1CC(N(C)C)C1.CCCCN1CCC(N(C)C)C1.CCCCN1CCC(N(C)C)CC1.CCCN(C)C.CCCN1CC(N(C)C)C1.CCCN1CCC1.CCN(C)C.CCOC.CS(C)(=O)=O.

What is the InChIKey of butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine?

The InChIKey is ISOMBZSCZXXDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2.C10H22N2.C9H20N2.C8H18N2.C7H14.C6H13N.C6H15N.C6H10.C6H14.C5H11N.C5H13N.C5H10O.2C5H10.C5H12.C4H11N.C4H8O2.2C4H8O.3C4H10.C3H7F.C3H8O.4C3H8.C2H6O2S/c1-4-5-8-13-9-6-11(7-10-13)12(2)3;1-4-5-7-12-8-6-10(9-12)11(2)3;1-4-5-6-11-7-9(8-11)10(2)3;1-4-5-10-6-8(7-10)9(2)3;1-7-5-3-2-4-6-7;1-2-4-7-5-3-6-7;1-4-5-6-7(2)3;1-5(2)6-3-4-6;1-4-5-6(2)3;1-5-3-6(2)4-5;1-4-5-6(2)3;1-5-2-3-6-4-5;2*1-5-3-2-4-5;1-3-5-4-2;1-4-5(2)3;1-3-4(5)6-2;2*1-3-4(2)5;1-4(2)3;2*1-3-4-2;1-3(2)4;1-3-4-2;4*1-3-2;1-5(2,3)4/h11H,4-10H2,1-3H3;10H,4-9H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;7H,2-6H2,1H3;2-6H2,1H3;4-6H2,1-3H3;6H,1,3-4H2,2H3;6H,4-5H2,1-3H3;5H,3-4H2,1-2H3;4-5H2,1-3H3;5H,2-4H2,1H3;2*5H,2-4H2,1H3;3-5H2,1-2H3;4H2,1-3H3;3H2,1-2H3;2*3H2,1-2H3;4H,1-3H3;2*3-4H2,1-2H3;3H,1-2H3;3H2,1-2H3;4*3H2,1-2H3;1-2H3.

What are the key properties of butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine?

butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine has a molecular weight of 2463.44 g/mol, XLogP of 38.47, 34 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for butane;bis(butan-2-one);1-butyl-N,N-dimethylazetidin-3-amine;1-butyl-N,N-dimethylpiperidin-4-amine;1-butyl-N,N-dimethylpyrrolidin-3-amine;1,3-dimethylazetidine;N,N-dimethylbutan-1-amine;N,N-dimethylethanamine;N,N-dimethylpropan-1-amine;N,N-dimethyl-1-propylazetidin-3-amine;2-fluoropropane;methoxyethane;methylcyclobutane;methylcyclohexane;3-methyloxolane;2-methylpentane;2-methylpropane;methyl propanoate;methylsulfonylmethane;pentane;propane;prop-1-en-2-ylcyclopropane;1-propylazetidine is sourced from PubChem (CID 167593497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).