N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine

C20H26N2 — CID 118713756

IUPACN-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESc1ccc2cc(CN(C3CCCCC3)C3CNC3)ccc2c1
InChIInChI=1S/C20H26N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h4-7,10-12,19-21H,1-3,8-9,13-15H2
InChIKeyLGYZPSJSJNXHOE-UHFFFAOYSA-N
MW294.44 g/mol
LogP3.95
Rot. Bonds4

About N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine

N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine (PubChem CID 118713756) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine
PubChem CID118713756
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC NameN-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine
SMILESc1ccc2cc(CN(C3CCCCC3)C3CNC3)ccc2c1
InChIInChI=1S/C20H26N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h4-7,10-12,19-21H,1-3,8-9,13-15H2
InChIKeyLGYZPSJSJNXHOE-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-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 N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The IUPAC name of N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine (CID 118713756) is N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine.
What is the SMILES notation for N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The canonical SMILES for N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine is c1ccc2cc(CN(C3CCCCC3)C3CNC3)ccc2c1.
What is the InChIKey of N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
The InChIKey is LGYZPSJSJNXHOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-2-8-19(9-3-1)22(20-13-21-14-20)15-16-10-11-17-6-4-5-7-18(17)12-16/h4-7,10-12,19-21H,1-3,8-9,13-15H2.
What are the key properties of N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine?
N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine has a molecular weight of 294.44 g/mol, XLogP of 3.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-(naphthalen-2-ylmethyl)azetidin-3-amine is sourced from PubChem (CID 118713756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).