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

C20H35N — CID 46850844

IUPAC(3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine
SMILESCC1=C(/C=C/C(C)CC/C=C(\C)CCN)C(C)(C)CCC1
InChIInChI=1S/C20H35N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h9,11-12,16H,6-8,10,13-15,21H2,1-5H3/b12-11+,17-9+
InChIKeyGVEPCXKJTVEDJC-UPMJEZSJSA-N
MW289.51 g/mol
LogP5.78
Rot. Bonds7

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

(3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine (PubChem CID 46850844) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine.

Molecular Properties

Compound Name(3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine
PubChem CID46850844
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine
SMILESCC1=C(/C=C/C(C)CC/C=C(\C)CCN)C(C)(C)CCC1
InChIInChI=1S/C20H35N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h9,11-12,16H,6-8,10,13-15,21H2,1-5H3/b12-11+,17-9+
InChIKeyGVEPCXKJTVEDJC-UPMJEZSJSA-N
XLogP5.78
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine?
The IUPAC name of (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine (CID 46850844) is (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine.
What is the SMILES notation for (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine?
The canonical SMILES for (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine is CC1=C(/C=C/C(C)CC/C=C(\C)CCN)C(C)(C)CCC1.
What is the InChIKey of (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine?
The InChIKey is GVEPCXKJTVEDJC-UPMJEZSJSA-N. The full InChI is InChI=1S/C20H35N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h9,11-12,16H,6-8,10,13-15,21H2,1-5H3/b12-11+,17-9+.
What are the key properties of (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine?
(3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.78, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-3,8-dien-1-amine is sourced from PubChem (CID 46850844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).