1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine

C13H23N3 — CID 154240407

IUPAC1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine
SMILESNC1(N=C=NC2CCCCC2)CCCCC1
InChIInChI=1S/C13H23N3/c14-13(9-5-2-6-10-13)16-11-15-12-7-3-1-4-8-12/h12H,1-10,14H2
InChIKeyZNWZOJOYOYXFPP-UHFFFAOYSA-N
MW221.35 g/mol
LogP3.11
Rot. Bonds2

About 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine

1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine (PubChem CID 154240407) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine
PubChem CID154240407
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine
SMILESNC1(N=C=NC2CCCCC2)CCCCC1
InChIInChI=1S/C13H23N3/c14-13(9-5-2-6-10-13)16-11-15-12-7-3-1-4-8-12/h12H,1-10,14H2
InChIKeyZNWZOJOYOYXFPP-UHFFFAOYSA-N
XLogP3.11
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-(cyclohexyliminomethylideneamino)cyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine?
The IUPAC name of 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine (CID 154240407) is 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine.
What is the SMILES notation for 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine?
The canonical SMILES for 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine is NC1(N=C=NC2CCCCC2)CCCCC1.
What is the InChIKey of 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine?
The InChIKey is ZNWZOJOYOYXFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c14-13(9-5-2-6-10-13)16-11-15-12-7-3-1-4-8-12/h12H,1-10,14H2.
What are the key properties of 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine?
1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexyliminomethylideneamino)cyclohexan-1-amine is sourced from PubChem (CID 154240407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).