(2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane

C27H43N — CID 156797808

IUPAC(2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane
SMILESCCC.CNC(/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C1CC1
InChIInChI=1S/C24H35N.C3H8/c1-18(12-15-22-20(3)11-8-16-24(22,4)5)9-7-10-19(2)17-23(25-6)21-13-14-21;1-3-2/h7,9-10,12,15,17,25H,8,11,13-14,16H2,1-6H3;3H2,1-2H3/b10-7+,15-12+,18-9+,19-17+;
InChIKeyMAIGFMIVIAWWFQ-DXOBMCJVSA-N
MW381.65 g/mol
LogP8.20
Rot. Bonds6

About (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane

(2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane (PubChem CID 156797808) has the molecular formula C27H43N and a molecular weight of 381.65 g/mol. Its IUPAC name is (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane.

Molecular Properties

Compound Name(2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane
PubChem CID156797808
Molecular FormulaC27H43N
Molecular Weight381.65 g/mol
Exact Mass381.34
IUPAC Name(2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane
SMILESCCC.CNC(/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C1CC1
InChIInChI=1S/C24H35N.C3H8/c1-18(12-15-22-20(3)11-8-16-24(22,4)5)9-7-10-19(2)17-23(25-6)21-13-14-21;1-3-2/h7,9-10,12,15,17,25H,8,11,13-14,16H2,1-6H3;3H2,1-2H3/b10-7+,15-12+,18-9+,19-17+;
InChIKeyMAIGFMIVIAWWFQ-DXOBMCJVSA-N
XLogP8.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 58.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane?
The IUPAC name of (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane (CID 156797808) is (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane.
What is the SMILES notation for (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane?
The canonical SMILES for (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane is CCC.CNC(/C=C(C)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C)=C1CC1.
What is the InChIKey of (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane?
The InChIKey is MAIGFMIVIAWWFQ-DXOBMCJVSA-N. The full InChI is InChI=1S/C24H35N.C3H8/c1-18(12-15-22-20(3)11-8-16-24(22,4)5)9-7-10-19(2)17-23(25-6)21-13-14-21;1-3-2/h7,9-10,12,15,17,25H,8,11,13-14,16H2,1-6H3;3H2,1-2H3/b10-7+,15-12+,18-9+,19-17+;.
What are the key properties of (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane?
(2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane has a molecular weight of 381.65 g/mol, XLogP of 8.20, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-1-cyclopropylidene-N,3,7-trimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine;propane is sourced from PubChem (CID 156797808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).