N,N'-dicyclohexylmethanediimine;isocyanic acid

C14H23N3O — CID 87197010

IUPACN,N'-dicyclohexylmethanediimine;isocyanic acid
SMILESC(=NC1CCCCC1)=NC1CCCCC1.N=C=O
InChIInChI=1S/C13H22N2.CHNO/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3/h12-13H,1-10H2;2H
InChIKeyORAIOWPLELDKKY-UHFFFAOYSA-N
MW249.36 g/mol
LogP3.73
Rot. Bonds2

About N,N'-dicyclohexylmethanediimine;isocyanic acid

N,N'-dicyclohexylmethanediimine;isocyanic acid (PubChem CID 87197010) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;isocyanic acid.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;isocyanic acid
PubChem CID87197010
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN,N'-dicyclohexylmethanediimine;isocyanic acid
SMILESC(=NC1CCCCC1)=NC1CCCCC1.N=C=O
InChIInChI=1S/C13H22N2.CHNO/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3/h12-13H,1-10H2;2H
InChIKeyORAIOWPLELDKKY-UHFFFAOYSA-N
XLogP3.73
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-dicyclohexylmethanediimine;isocyanic acid 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 N,N'-dicyclohexylmethanediimine;isocyanic acid?
The IUPAC name of N,N'-dicyclohexylmethanediimine;isocyanic acid (CID 87197010) is N,N'-dicyclohexylmethanediimine;isocyanic acid.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;isocyanic acid?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;isocyanic acid is C(=NC1CCCCC1)=NC1CCCCC1.N=C=O.
What is the InChIKey of N,N'-dicyclohexylmethanediimine;isocyanic acid?
The InChIKey is ORAIOWPLELDKKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.CHNO/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;2-1-3/h12-13H,1-10H2;2H.
What are the key properties of N,N'-dicyclohexylmethanediimine;isocyanic acid?
N,N'-dicyclohexylmethanediimine;isocyanic acid has a molecular weight of 249.36 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;isocyanic acid is sourced from PubChem (CID 87197010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).