(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine

C22H38FN — CID 155015797

IUPAC(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine
SMILESC=CNCCC(CCC1CCCC1)C(C)(CF)C/C=C(\C=C)CC
InChIInChI=1S/C22H38FN/c1-5-19(6-2)14-16-22(4,18-23)21(15-17-24-7-3)13-12-20-10-8-9-11-20/h5,7,14,20-21,24H,1,3,6,8-13,15-18H2,2,4H3/b19-14+
InChIKeyGYRZRIMVBACSGV-XMHGGMMESA-N
MW335.55 g/mol
LogP6.58
Rot. Bonds13

About (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine

(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine (PubChem CID 155015797) has the molecular formula C22H38FN and a molecular weight of 335.55 g/mol. Its IUPAC name is (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine.

Molecular Properties

Compound Name(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine
PubChem CID155015797
Molecular FormulaC22H38FN
Molecular Weight335.55 g/mol
Exact Mass335.30
IUPAC Name(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine
SMILESC=CNCCC(CCC1CCCC1)C(C)(CF)C/C=C(\C=C)CC
InChIInChI=1S/C22H38FN/c1-5-19(6-2)14-16-22(4,18-23)21(15-17-24-7-3)13-12-20-10-8-9-11-20/h5,7,14,20-21,24H,1,3,6,8-13,15-18H2,2,4H3/b19-14+
InChIKeyGYRZRIMVBACSGV-XMHGGMMESA-N
XLogP6.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.55
LogP ≤ 56.58
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 (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(2-cyclopropylethyl)-3,3-dimethylpentyl]cyclopropane
CID 173203928
N-(2-cyclohexylethyl)-2-ethylbut-1-en-1-amine
CID 153355615
1-cyclopentylhex-5-en-3-ol
CID 115778851
1-[5-(3-methylbutyl)cyclononyl]prop-2-en-1-one
CID 91599650
1-cyclopentyl-N-(1-cyclopentylethenyl)hexan-3-amine
CID 167238174
1-cyclobutyl-4-cyclopentyl-N-propylbutan-2-amine
CID 115863549
1-cyclohexyl-4-methyl-N-propylpentan-3-amine
CID 63399865
5-(cyclobutylmethyl)-N-methyl-6-methylideneoct-7-en-1-amine
CID 143587043
1-cyclopentyl-N-ethyloct-7-en-3-amine
CID 104986890
2-(2-cyclopentylethyl)propanedioic acid
CID 23186368
1-cyclopentyl-3-methoxy-3-methylpentan-2-ol
CID 116751802
1-cyclohexylhept-6-en-3-ol
CID 115804677

Frequently Asked Questions

What is the IUPAC name of (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine?
The IUPAC name of (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine (CID 155015797) is (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine.
What is the SMILES notation for (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine?
The canonical SMILES for (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine is C=CNCCC(CCC1CCCC1)C(C)(CF)C/C=C(\C=C)CC.
What is the InChIKey of (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine?
The InChIKey is GYRZRIMVBACSGV-XMHGGMMESA-N. The full InChI is InChI=1S/C22H38FN/c1-5-19(6-2)14-16-22(4,18-23)21(15-17-24-7-3)13-12-20-10-8-9-11-20/h5,7,14,20-21,24H,1,3,6,8-13,15-18H2,2,4H3/b19-14+.
What are the key properties of (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine?
(6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine has a molecular weight of 335.55 g/mol, XLogP of 6.58, 13 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-3-(2-cyclopentylethyl)-N-ethenyl-7-ethyl-4-(fluoromethyl)-4-methylnona-6,8-dien-1-amine is sourced from PubChem (CID 155015797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).