[1-(cyclohexen-1-yl)cyclohexyl]methanamine

C13H23N — CID 116659372

IUPAC[1-(cyclohexen-1-yl)cyclohexyl]methanamine
SMILESNCC1(C2=CCCCC2)CCCCC1
InChIInChI=1S/C13H23N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h7H,1-6,8-11,14H2
InChIKeyLRUGVQHVPUNGIJ-UHFFFAOYSA-N
MW193.33 g/mol
LogP3.40
Rot. Bonds2

About [1-(cyclohexen-1-yl)cyclohexyl]methanamine

[1-(cyclohexen-1-yl)cyclohexyl]methanamine (PubChem CID 116659372) has the molecular formula C13H23N and a molecular weight of 193.33 g/mol. Its IUPAC name is [1-(cyclohexen-1-yl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[1-(cyclohexen-1-yl)cyclohexyl]methanamine
PubChem CID116659372
Molecular FormulaC13H23N
Molecular Weight193.33 g/mol
Exact Mass193.18
IUPAC Name[1-(cyclohexen-1-yl)cyclohexyl]methanamine
SMILESNCC1(C2=CCCCC2)CCCCC1
InChIInChI=1S/C13H23N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h7H,1-6,8-11,14H2
InChIKeyLRUGVQHVPUNGIJ-UHFFFAOYSA-N
XLogP3.40
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.33
LogP ≤ 53.40
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)cyclohexyl]methanamine 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)cyclopent-3-en-1-yl]methanamine
CID 116659353
3-(aminomethyl)-3-(cyclohexen-1-yl)cyclobutan-1-one
CID 116659378
1-(cyclohexen-1-yl)cyclohexan-1-amine
CID 56996461
N-[[1-(cyclohexen-1-yl)cyclopentyl]methyl]ethanamine
CID 116662225
1-[2-(cyclohexen-1-yl)spiro[3.6]decan-2-yl]-N-methylmethanamine
CID 116662210
cyclododecen-1-ylmethanamine
CID 70571219
[1-[4-(fluoromethyl)phenyl]cyclohexyl]methanamine
CID 117316928
N-[[2-(cyclohexen-1-yl)spiro[3.4]octan-2-yl]methyl]propan-2-amine
CID 116662298
[2-(cyclohexen-1-yl)oxan-2-yl]silane
CID 175455485
3-(cycloocten-1-yl)-3-fluoropyrrolidine
CID 106655028
4-(cycloocten-1-yl)-4-hydroxycyclohexan-1-one
CID 106651235
2-[1-(aminomethyl)cyclohexyl]-1-(cyclohexen-1-yl)ethanone
CID 106655745

Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexen-1-yl)cyclohexyl]methanamine?
The IUPAC name of [1-(cyclohexen-1-yl)cyclohexyl]methanamine (CID 116659372) is [1-(cyclohexen-1-yl)cyclohexyl]methanamine.
What is the SMILES notation for [1-(cyclohexen-1-yl)cyclohexyl]methanamine?
The canonical SMILES for [1-(cyclohexen-1-yl)cyclohexyl]methanamine is NCC1(C2=CCCCC2)CCCCC1.
What is the InChIKey of [1-(cyclohexen-1-yl)cyclohexyl]methanamine?
The InChIKey is LRUGVQHVPUNGIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N/c14-11-13(9-5-2-6-10-13)12-7-3-1-4-8-12/h7H,1-6,8-11,14H2.
What are the key properties of [1-(cyclohexen-1-yl)cyclohexyl]methanamine?
[1-(cyclohexen-1-yl)cyclohexyl]methanamine has a molecular weight of 193.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexen-1-yl)cyclohexyl]methanamine is sourced from PubChem (CID 116659372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).