(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine

C19H29N — CID 143520371

IUPAC(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C\CN)C(C)CCC1
InChIInChI=1S/C19H29N/c1-15(7-5-8-16(2)13-14-20)11-12-19-17(3)9-6-10-18(19)4/h5,7-8,11-13,17H,6,9-10,14,20H2,1-4H3/b8-5+,12-11+,15-7+,16-13-
InChIKeyVNXIYCWQFUULGF-KJDHFLNFSA-N
MW271.45 g/mol
LogP5.09
Rot. Bonds5

About (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine

(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine (PubChem CID 143520371) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
PubChem CID143520371
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC Name(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
SMILESCC1=C(/C=C/C(C)=C/C=C/C(C)=C\CN)C(C)CCC1
InChIInChI=1S/C19H29N/c1-15(7-5-8-16(2)13-14-20)11-12-19-17(3)9-6-10-18(19)4/h5,7-8,11-13,17H,6,9-10,14,20H2,1-4H3/b8-5+,12-11+,15-7+,16-13-
InChIKeyVNXIYCWQFUULGF-KJDHFLNFSA-N
XLogP5.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.45
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine with MolForge

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Launch Full Analysis

Related Compounds

2-[(1E,3E,5E,7E)-9-methoxy-3,7-dimethylnona-1,3,5,7-tetraenyl]-1,3-dimethylcyclohexene
CID 143095124
(5E,7E,9E,11E)-12-(2,6-dimethylcyclohexen-1-yl)-6,10-dimethyldodeca-5,7,9,11-tetraen-2-one
CID 143095132
(1E,3Z,5E,7E)-8-(2,6-dimethylcyclohexen-1-yl)-2,6-dimethylocta-1,3,5,7-tetraen-1-ol;ethane
CID 144550356
(2Z,4E)-5-(2,6-dimethylcyclohexen-1-yl)-3-methylpenta-2,4-dienal
CID 142351999
(13E,15E,17E,19E)-20-(2,6-dimethylcyclohexen-1-yl)-14,18-dimethylicosa-13,15,17,19-tetraen-10-one
CID 143095107
2-aminoacetic acid;3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-amine
CID 129051322
(2Z)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 87243014
(2Z,4E,6Z,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-ol
CID 5354043
[(2E,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]azanium
CID 101457103
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)(1,2,5,6-13C4)nona-2,4,6,8-tetraenyl] acetate
CID 10854046
[(2Z,4E,6E,8E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
CID 10359171
[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl] acetate
CID 5057

Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine (CID 143520371) is (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine is CC1=C(/C=C/C(C)=C/C=C/C(C)=C\CN)C(C)CCC1.
What is the InChIKey of (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
The InChIKey is VNXIYCWQFUULGF-KJDHFLNFSA-N. The full InChI is InChI=1S/C19H29N/c1-15(7-5-8-16(2)13-14-20)11-12-19-17(3)9-6-10-18(19)4/h5,7-8,11-13,17H,6,9-10,14,20H2,1-4H3/b8-5+,12-11+,15-7+,16-13-.
What are the key properties of (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
(2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine has a molecular weight of 271.45 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8E)-9-(2,6-dimethylcyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 143520371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).