6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene

C65H120F2N4O — CID 143361284

IUPAC6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene
SMILESC=C.C=C.C=C(C)C1CC(CC)CN1C(=C)C(N(C)C(=C)NC)C(C)(C)C.C=C/C=C\C(CCC)=C(/C)CC.C=CC.C=CCNC(=O)C(=C)C(C)CCC(C)(F)F.CC(C)(C)C.CCC1(C)CCCCC1
InChIInChI=1S/C20H37N3.C12H19F2NO.C12H20.C9H18.C5H12.C3H6.2C2H4/c1-11-17-12-18(14(2)3)23(13-17)15(4)19(20(6,7)8)22(10)16(5)21-9;1-5-8-15-11(16)10(3)9(2)6-7-12(4,13)14;1-5-8-10-12(9-6-2)11(4)7-3;1-3-9(2)7-5-4-6-8-9;1-5(2,3)4;1-3-2;2*1-2/h17-19,21H,2,4-5,11-13H2,1,3,6-10H3;5,9H,1,3,6-8H2,2,4H3,(H,15,16);5,8,10H,1,6-7,9H2,2-4H3;3-8H2,1-2H3;1-4H3;3H,1H2,2H3;2*1-2H2/b;;10-8-,12-11+;;;;;
InChIKeyIHWNPWRRAIOSGW-WRPDYUBLSA-N
MW1011.70 g/mol
LogP19.60
Rot. Bonds20

About 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene

6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene (PubChem CID 143361284) has the molecular formula C65H120F2N4O and a molecular weight of 1011.70 g/mol. Its IUPAC name is 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene.

Molecular Properties

Compound Name6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene
PubChem CID143361284
Molecular FormulaC65H120F2N4O
Molecular Weight1011.70 g/mol
Exact Mass1010.94
IUPAC Name6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene
SMILESC=C.C=C.C=C(C)C1CC(CC)CN1C(=C)C(N(C)C(=C)NC)C(C)(C)C.C=C/C=C\C(CCC)=C(/C)CC.C=CC.C=CCNC(=O)C(=C)C(C)CCC(C)(F)F.CC(C)(C)C.CCC1(C)CCCCC1
InChIInChI=1S/C20H37N3.C12H19F2NO.C12H20.C9H18.C5H12.C3H6.2C2H4/c1-11-17-12-18(14(2)3)23(13-17)15(4)19(20(6,7)8)22(10)16(5)21-9;1-5-8-15-11(16)10(3)9(2)6-7-12(4,13)14;1-5-8-10-12(9-6-2)11(4)7-3;1-3-9(2)7-5-4-6-8-9;1-5(2,3)4;1-3-2;2*1-2/h17-19,21H,2,4-5,11-13H2,1,3,6-10H3;5,9H,1,3,6-8H2,2,4H3,(H,15,16);5,8,10H,1,6-7,9H2,2-4H3;3-8H2,1-2H3;1-4H3;3H,1H2,2H3;2*1-2H2/b;;10-8-,12-11+;;;;;
InChIKeyIHWNPWRRAIOSGW-WRPDYUBLSA-N
XLogP19.60
TPSA47.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms72
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001011.70
LogP ≤ 519.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene?
The IUPAC name of 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene (CID 143361284) is 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene.
What is the SMILES notation for 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene?
The canonical SMILES for 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene is C=C.C=C.C=C(C)C1CC(CC)CN1C(=C)C(N(C)C(=C)NC)C(C)(C)C.C=C/C=C\C(CCC)=C(/C)CC.C=CC.C=CCNC(=O)C(=C)C(C)CCC(C)(F)F.CC(C)(C)C.CCC1(C)CCCCC1.
What is the InChIKey of 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene?
The InChIKey is IHWNPWRRAIOSGW-WRPDYUBLSA-N. The full InChI is InChI=1S/C20H37N3.C12H19F2NO.C12H20.C9H18.C5H12.C3H6.2C2H4/c1-11-17-12-18(14(2)3)23(13-17)15(4)19(20(6,7)8)22(10)16(5)21-9;1-5-8-15-11(16)10(3)9(2)6-7-12(4,13)14;1-5-8-10-12(9-6-2)11(4)7-3;1-3-9(2)7-5-4-6-8-9;1-5(2,3)4;1-3-2;2*1-2/h17-19,21H,2,4-5,11-13H2,1,3,6-10H3;5,9H,1,3,6-8H2,2,4H3,(H,15,16);5,8,10H,1,6-7,9H2,2-4H3;3-8H2,1-2H3;1-4H3;3H,1H2,2H3;2*1-2H2/b;;10-8-,12-11+;;;;;.
What are the key properties of 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene?
6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene has a molecular weight of 1011.70 g/mol, XLogP of 19.60, 20 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-difluoro-3-methyl-2-methylidene-N-prop-2-enylheptanamide;2,2-dimethylpropane;ethene;1-ethyl-1-methylcyclohexane;1-N'-[2-(4-ethyl-2-prop-1-en-2-ylpyrrolidin-1-yl)-4,4-dimethylpent-1-en-3-yl]-1-N,1-N'-dimethylethene-1,1-diamine;(3Z,5E)-6-methyl-5-propylocta-1,3,5-triene;prop-1-ene is sourced from PubChem (CID 143361284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).