(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine

C20H37N — CID 134817775

IUPAC(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine
SMILESCC1=C(CCC(C)C/C=C/C(C)CCN)C(C)(C)CCC1
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/h6,9,16-17H,7-8,10-15,21H2,1-5H3/b9-6+
InChIKeyYPBTVYHMRBOWDF-RMKNXTFCSA-N
MW291.52 g/mol
LogP5.86
Rot. Bonds8

About (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine

(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine (PubChem CID 134817775) has the molecular formula C20H37N and a molecular weight of 291.52 g/mol. Its IUPAC name is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine.

Molecular Properties

Compound Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine
PubChem CID134817775
Molecular FormulaC20H37N
Molecular Weight291.52 g/mol
Exact Mass291.29
IUPAC Name(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine
SMILESCC1=C(CCC(C)C/C=C/C(C)CCN)C(C)(C)CCC1
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/h6,9,16-17H,7-8,10-15,21H2,1-5H3/b9-6+
InChIKeyYPBTVYHMRBOWDF-RMKNXTFCSA-N
XLogP5.86
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.52
LogP ≤ 55.86
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 (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine?
The IUPAC name of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine (CID 134817775) is (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine.
What is the SMILES notation for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine?
The canonical SMILES for (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine is CC1=C(CCC(C)C/C=C/C(C)CCN)C(C)(C)CCC1.
What is the InChIKey of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine?
The InChIKey is YPBTVYHMRBOWDF-RMKNXTFCSA-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/h6,9,16-17H,7-8,10-15,21H2,1-5H3/b9-6+.
What are the key properties of (E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine?
(E)-3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)non-4-en-1-amine has a molecular weight of 291.52 g/mol, XLogP of 5.86, 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-4-en-1-amine is sourced from PubChem (CID 134817775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).