N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen

C15H30N2 — CID 143974627

IUPACN,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CC.[H][H]
InChIInChI=1S/C13H22N2.C2H6.H2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2;/h12-13H,1-10H2;1-2H3;1H
InChIKeyFSWIGMQAKGDEQL-UHFFFAOYSA-N
MW238.42 g/mol
LogP5.10
Rot. Bonds2

About N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen

N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen (PubChem CID 143974627) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen.

Molecular Properties

Compound NameN,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen
PubChem CID143974627
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC NameN,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen
SMILESC(=NC1CCCCC1)=NC1CCCCC1.CC.[H][H]
InChIInChI=1S/C13H22N2.C2H6.H2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2;/h12-13H,1-10H2;1-2H3;1H
InChIKeyFSWIGMQAKGDEQL-UHFFFAOYSA-N
XLogP5.10
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.42
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen 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;ethane;molecular hydrogen?
The IUPAC name of N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen (CID 143974627) is N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen.
What is the SMILES notation for N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen?
The canonical SMILES for N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen is C(=NC1CCCCC1)=NC1CCCCC1.CC.[H][H].
What is the InChIKey of N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen?
The InChIKey is FSWIGMQAKGDEQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2.C2H6.H2/c1-3-7-12(8-4-1)14-11-15-13-9-5-2-6-10-13;1-2;/h12-13H,1-10H2;1-2H3;1H.
What are the key properties of N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen?
N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen has a molecular weight of 238.42 g/mol, XLogP of 5.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dicyclohexylmethanediimine;ethane;molecular hydrogen is sourced from PubChem (CID 143974627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).