(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine

C23H35N — CID 59381629

IUPAC(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\NCCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h8,10-11,13-15,18,24H,3,7,9,12,16-17H2,1-2,4-6H3/b11-8+,14-13+,18-15-,19-10+
InChIKeyYSUFGQHGCGZJET-XBIPIPLWSA-N
MW325.54 g/mol
LogP6.64
Rot. Bonds8

About (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine

(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine (PubChem CID 59381629) has the molecular formula C23H35N and a molecular weight of 325.54 g/mol. Its IUPAC name is (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine.

Molecular Properties

Compound Name(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
PubChem CID59381629
Molecular FormulaC23H35N
Molecular Weight325.54 g/mol
Exact Mass325.28
IUPAC Name(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine
SMILESC=C(/C=C\NCCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C
InChIInChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h8,10-11,13-15,18,24H,3,7,9,12,16-17H2,1-2,4-6H3/b11-8+,14-13+,18-15-,19-10+
InChIKeyYSUFGQHGCGZJET-XBIPIPLWSA-N
XLogP6.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.54
LogP ≤ 56.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The IUPAC name of (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine (CID 59381629) is (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine.
What is the SMILES notation for (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The canonical SMILES for (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine is C=C(/C=C\NCCC)/C=C/C=C(C)/C=C/C1=C(C)CCCC1(C)C.
What is the InChIKey of (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
The InChIKey is YSUFGQHGCGZJET-XBIPIPLWSA-N. The full InChI is InChI=1S/C23H35N/c1-7-17-24-18-15-20(3)11-8-10-19(2)13-14-22-21(4)12-9-16-23(22,5)6/h8,10-11,13-15,18,24H,3,7,9,12,16-17H2,1-2,4-6H3/b11-8+,14-13+,18-15-,19-10+.
What are the key properties of (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine?
(1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine has a molecular weight of 325.54 g/mol, XLogP of 6.64, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,4E,6E,8E)-7-methyl-3-methylidene-N-propyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-1,4,6,8-tetraen-1-amine is sourced from PubChem (CID 59381629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).