(1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine

C20H31N — CID 155928428

IUPAC(1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)/C=C/N)C(C)(C)CCC1
InChIInChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15,17H,7,10,14,21H2,1-5H3/b9-6+,12-11+,15-13+,16-8+
InChIKeyVBAZMWHFBVYVDY-NNWAMJGOSA-N
MW285.48 g/mol
LogP5.68
Rot. Bonds5

About (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine

(1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine (PubChem CID 155928428) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
PubChem CID155928428
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name(1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)/C=C/N)C(C)(C)CCC1
InChIInChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15,17H,7,10,14,21H2,1-5H3/b9-6+,12-11+,15-13+,16-8+
InChIKeyVBAZMWHFBVYVDY-NNWAMJGOSA-N
XLogP5.68
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The IUPAC name of (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine (CID 155928428) is (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine.
What is the SMILES notation for (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The canonical SMILES for (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine is CC1=C(/C=C/C(C)=C/C=C/C(C)/C=C/N)C(C)(C)CCC1.
What is the InChIKey of (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The InChIKey is VBAZMWHFBVYVDY-NNWAMJGOSA-N. The full InChI is InChI=1S/C20H31N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15,17H,7,10,14,21H2,1-5H3/b9-6+,12-11+,15-13+,16-8+.
What are the key properties of (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
(1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine is sourced from PubChem (CID 155928428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).