(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine

C20H37N — CID 176468802

IUPAC(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine
SMILESCC1=C(C(CCC1)(C)C)CCC(C)/C=C/CC(C)CCN
InChIInChI=1S/C20H37N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8,16-17H,7,9-15,21H2,1-5H3/b8-6+
InChIKeyALRLFHDEVLTWFZ-SOFGYWHQSA-N
MW291.50 g/mol
LogP5.40
Rot. Bonds8

About (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine

(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine (PubChem CID 176468802) has the molecular formula C20H37N and a molecular weight of 291.50 g/mol. Its IUPAC name is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine.

Molecular Properties

Compound Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine
PubChem CID176468802
Molecular FormulaC20H37N
Molecular Weight291.50 g/mol
Exact Mass291.29
IUPAC Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine
SMILESCC1=C(C(CCC1)(C)C)CCC(C)/C=C/CC(C)CCN
InChIInChI=1S/C20H37N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8,16-17H,7,9-15,21H2,1-5H3/b8-6+
InChIKeyALRLFHDEVLTWFZ-SOFGYWHQSA-N
XLogP5.40
TPSA26.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity362

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.50
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine with MolForge

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Launch Full Analysis

Related Compounds

Retinylamine
CID 444596
(E,7R,11R)-3,7,11,15-tetramethylhexadec-2-en-1-amine
CID 6476637
(2E,4E,6E)-5-methyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 57814841
(2E,4E,6E,8E)-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 101387724
(2E,4E,6E,8E)-7-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373940
(2E,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373945
(2E,4E,6E,8E,10E)-5,9-dimethyl-11-(2,6,6-trimethylcyclohexen-1-yl)undeca-2,4,6,8,10-pentaen-1-amine
CID 121373950
poly(beta-D-mannuronate) lyase
CID 168356126
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373971
(2E,4Z,6E)-5-tert-butyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373982
2-(4,4-Dimethylcyclohex-1-en-1-yl)-2-methylpropan-1-amine hydrochloride
CID 165978136
(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 444771

Frequently Asked Questions

What is the IUPAC name of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine?
The IUPAC name of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine (CID 176468802) is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine.
What is the SMILES notation for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine?
The canonical SMILES for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine is CC1=C(C(CCC1)(C)C)CCC(C)/C=C/CC(C)CCN.
What is the InChIKey of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine?
The InChIKey is ALRLFHDEVLTWFZ-SOFGYWHQSA-N. The full InChI is InChI=1S/C20H37N/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8,16-17H,7,9-15,21H2,1-5H3/b8-6+.
What are the key properties of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine?
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine has a molecular weight of 291.50 g/mol, XLogP of 5.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-5-en-1-amine is sourced from PubChem (CID 176468802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).