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

C20H35N — CID 175639588

IUPAC(2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine
SMILESCC1=C(CCC(C)/C=C/C/C(C)=C/CN)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/h6,8,13,16H,7,9-12,14-15,21H2,1-5H3/b8-6+,17-13+
InChIKeyPPURJVFACFWFIN-SMEOYZNOSA-N
MW289.51 g/mol
LogP5.78
Rot. Bonds7

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

(2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine (PubChem CID 175639588) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine.

Molecular Properties

Compound Name(2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine
PubChem CID175639588
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC Name(2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine
SMILESCC1=C(CCC(C)/C=C/C/C(C)=C/CN)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/h6,8,13,16H,7,9-12,14-15,21H2,1-5H3/b8-6+,17-13+
InChIKeyPPURJVFACFWFIN-SMEOYZNOSA-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'}

Analyze (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-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
(2E,4Z,6E)-5-tert-butyl-7-(2-methylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373938
(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,4E,6Z,8E)-7-tert-butyl-3-methyl-9-(2-methylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373973
(2Z,4E,6Z,8E)-3,7-ditert-butyl-9-(cyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 121373974
(2E,4Z,6E)-5-tert-butyl-7-(2,6,6-trimethylcyclohexen-1-yl)hepta-2,4,6-trien-1-amine
CID 121373982

Frequently Asked Questions

What is the IUPAC name of (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine?
The IUPAC name of (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine (CID 175639588) is (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine.
What is the SMILES notation for (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine?
The canonical SMILES for (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine is CC1=C(CCC(C)/C=C/C/C(C)=C/CN)C(C)(C)CCC1.
What is the InChIKey of (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine?
The InChIKey is PPURJVFACFWFIN-SMEOYZNOSA-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/h6,8,13,16H,7,9-12,14-15,21H2,1-5H3/b8-6+,17-13+.
What are the key properties of (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine?
(2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-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 (2E,5E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,5-dien-1-amine is sourced from PubChem (CID 175639588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).