cyclohexanamine;diphenylmethanediamine

C19H27N3 — CID 175293358

IUPACcyclohexanamine;diphenylmethanediamine
SMILESNC(N)(c1ccccc1)c1ccccc1.NC1CCCCC1
InChIInChI=1S/C13H14N2.C6H13N/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-10H,14-15H2;6H,1-5,7H2
InChIKeyRTEBIIFZVNOIMM-UHFFFAOYSA-N
MW297.45 g/mol
LogP3.08
Rot. Bonds2

About cyclohexanamine;diphenylmethanediamine

cyclohexanamine;diphenylmethanediamine (PubChem CID 175293358) has the molecular formula C19H27N3 and a molecular weight of 297.45 g/mol. Its IUPAC name is cyclohexanamine;diphenylmethanediamine.

Molecular Properties

Compound Namecyclohexanamine;diphenylmethanediamine
PubChem CID175293358
Molecular FormulaC19H27N3
Molecular Weight297.45 g/mol
Exact Mass297.22
IUPAC Namecyclohexanamine;diphenylmethanediamine
SMILESNC(N)(c1ccccc1)c1ccccc1.NC1CCCCC1
InChIInChI=1S/C13H14N2.C6H13N/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-10H,14-15H2;6H,1-5,7H2
InChIKeyRTEBIIFZVNOIMM-UHFFFAOYSA-N
XLogP3.08
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.45
LogP ≤ 53.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze cyclohexanamine;diphenylmethanediamine 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

cycloheptanamine;phenylmethanamine
CID 162192852
azane;benzoic acid;carbamic acid;cyclohexanamine
CID 173025744
4-N-tritylcyclohexane-1,4-diamine
CID 18919397
tert-butylbenzene;methanamine;7-thiabicyclo[4.1.0]heptane
CID 174813455
(2R)-2-azido-2-phenylpropanoic acid;cyclohexanamine
CID 112756113
(3S)-1-tritylazepan-3-amine
CID 54215534
benzonitrile;cyclopentanamine
CID 162015022
magnesium;diphenylmethanediamine;hydride;hydrate
CID 174948742
4,4-diphenylcyclotridecan-1-amine
CID 175822045
cyclohexanamine;2-phenylacetic acid
CID 70192288
azane;cycloheptanamine
CID 135353953
azepan-2-yl(diphenyl)methanamine
CID 69019093

Frequently Asked Questions

What is the IUPAC name of cyclohexanamine;diphenylmethanediamine?
The IUPAC name of cyclohexanamine;diphenylmethanediamine (CID 175293358) is cyclohexanamine;diphenylmethanediamine.
What is the SMILES notation for cyclohexanamine;diphenylmethanediamine?
The canonical SMILES for cyclohexanamine;diphenylmethanediamine is NC(N)(c1ccccc1)c1ccccc1.NC1CCCCC1.
What is the InChIKey of cyclohexanamine;diphenylmethanediamine?
The InChIKey is RTEBIIFZVNOIMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2.C6H13N/c14-13(15,11-7-3-1-4-8-11)12-9-5-2-6-10-12;7-6-4-2-1-3-5-6/h1-10H,14-15H2;6H,1-5,7H2.
What are the key properties of cyclohexanamine;diphenylmethanediamine?
cyclohexanamine;diphenylmethanediamine has a molecular weight of 297.45 g/mol, XLogP of 3.08, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexanamine;diphenylmethanediamine is sourced from PubChem (CID 175293358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).