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

C17H25N — CID 121373943

IUPAC(2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
SMILESCC(/C=C/C1=CCCCC1)=C\C=C\C(C)=C\CN
InChIInChI=1S/C17H25N/c1-15(7-6-8-16(2)13-14-18)11-12-17-9-4-3-5-10-17/h6-9,11-13H,3-5,10,14,18H2,1-2H3/b8-6+,12-11+,15-7+,16-13+
InChIKeyZEEKMKPUEYHPGC-ZOKDAMQKSA-N
MW243.39 g/mol
LogP4.45
Rot. Bonds5

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

(2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine (PubChem CID 121373943) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
PubChem CID121373943
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name(2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine
SMILESCC(/C=C/C1=CCCCC1)=C\C=C\C(C)=C\CN
InChIInChI=1S/C17H25N/c1-15(7-6-8-16(2)13-14-18)11-12-17-9-4-3-5-10-17/h6-9,11-13H,3-5,10,14,18H2,1-2H3/b8-6+,12-11+,15-7+,16-13+
InChIKeyZEEKMKPUEYHPGC-ZOKDAMQKSA-N
XLogP4.45
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
The IUPAC name of (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine (CID 121373943) is (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine.
What is the SMILES notation for (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
The canonical SMILES for (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine is CC(/C=C/C1=CCCCC1)=C\C=C\C(C)=C\CN.
What is the InChIKey of (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
The InChIKey is ZEEKMKPUEYHPGC-ZOKDAMQKSA-N. The full InChI is InChI=1S/C17H25N/c1-15(7-6-8-16(2)13-14-18)11-12-17-9-4-3-5-10-17/h6-9,11-13H,3-5,10,14,18H2,1-2H3/b8-6+,12-11+,15-7+,16-13+.
What are the key properties of (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine?
(2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine has a molecular weight of 243.39 g/mol, XLogP of 4.45, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-9-(cyclohexen-1-yl)-3,7-dimethylnona-2,4,6,8-tetraen-1-amine is sourced from PubChem (CID 121373943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).