1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine

C16H29N — CID 114475925

IUPAC1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1=CCCCC1)NCCC
InChIInChI=1S/C16H29N/c1-4-12-17-16(11-10-14(2)3)13-15-8-6-5-7-9-15/h8,16-17H,2,4-7,9-13H2,1,3H3
InChIKeyLLTZZXFJIISVNN-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.60
Rot. Bonds8

About 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine

1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine (PubChem CID 114475925) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
PubChem CID114475925
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine
SMILESC=C(C)CCC(CC1=CCCCC1)NCCC
InChIInChI=1S/C16H29N/c1-4-12-17-16(11-10-14(2)3)13-15-8-6-5-7-9-15/h8,16-17H,2,4-7,9-13H2,1,3H3
InChIKeyLLTZZXFJIISVNN-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-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

1-(cyclohexen-1-yl)-N,5-dimethylhex-5-en-2-amine
CID 114475921
1-(cyclohexen-1-yl)-N-propylhept-6-en-2-amine
CID 116662062
1-(cyclohexen-1-yl)-5-phenyl-N-propylpentan-2-amine
CID 116662072
1-(cyclohexen-1-yl)-N-propylnon-8-en-2-amine
CID 107009676
1-(cyclohexen-1-yl)-3-cyclopropyl-N-propylpropan-2-amine
CID 116662141
1-(cyclohexen-1-yl)-5-(oxolan-2-yl)-N-propylpentan-2-amine
CID 116662096
1-(cyclohexen-1-yl)-N-ethylundecan-2-amine
CID 116661766
1-(cyclohexen-1-yl)-N-ethyl-3-methylbut-3-en-2-amine
CID 116661717
1-(3,5-difluorophenyl)-5-methyl-N-propylhex-5-en-2-amine
CID 114474365
1-(cyclohexen-1-yl)pentan-2-ylhydrazine
CID 105269890
N-[1-(cyclohepten-1-yl)-2-(cyclohexen-1-yl)ethyl]propan-1-amine
CID 106654416
1-(cyclohexen-1-yl)-3-(2-methoxyphenyl)-N-propylpropan-2-amine
CID 116662039

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine?
The IUPAC name of 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine (CID 114475925) is 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine.
What is the SMILES notation for 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine?
The canonical SMILES for 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine is C=C(C)CCC(CC1=CCCCC1)NCCC.
What is the InChIKey of 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine?
The InChIKey is LLTZZXFJIISVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-4-12-17-16(11-10-14(2)3)13-15-8-6-5-7-9-15/h8,16-17H,2,4-7,9-13H2,1,3H3.
What are the key properties of 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine?
1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine has a molecular weight of 235.41 g/mol, XLogP of 4.60, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-5-methyl-N-propylhex-5-en-2-amine is sourced from PubChem (CID 114475925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).