N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride

C21H27Cl2N — CID 70365722

IUPACN-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc2c(CNC3C4CC5CC(C4)CC3C5)cccc2c1
InChIInChI=1S/C21H25N.2ClH/c1-2-7-20-16(4-1)5-3-6-17(20)13-22-21-18-9-14-8-15(11-18)12-19(21)10-14;;/h1-7,14-15,18-19,21-22H,8-13H2;2*1H
InChIKeyPCHKNSWMYUYKSH-UHFFFAOYSA-N
MW364.36 g/mol
LogP5.60
Rot. Bonds3

About N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride

N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride (PubChem CID 70365722) has the molecular formula C21H27Cl2N and a molecular weight of 364.36 g/mol. Its IUPAC name is N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride.

Molecular Properties

Compound NameN-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride
PubChem CID70365722
Molecular FormulaC21H27Cl2N
Molecular Weight364.36 g/mol
Exact Mass363.15
IUPAC NameN-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride
SMILESCl.Cl.c1ccc2c(CNC3C4CC5CC(C4)CC3C5)cccc2c1
InChIInChI=1S/C21H25N.2ClH/c1-2-7-20-16(4-1)5-3-6-17(20)13-22-21-18-9-14-8-15(11-18)12-19(21)10-14;;/h1-7,14-15,18-19,21-22H,8-13H2;2*1H
InChIKeyPCHKNSWMYUYKSH-UHFFFAOYSA-N
XLogP5.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.36
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride 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-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride?
The IUPAC name of N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride (CID 70365722) is N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride.
What is the SMILES notation for N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride?
The canonical SMILES for N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride is Cl.Cl.c1ccc2c(CNC3C4CC5CC(C4)CC3C5)cccc2c1.
What is the InChIKey of N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride?
The InChIKey is PCHKNSWMYUYKSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N.2ClH/c1-2-7-20-16(4-1)5-3-6-17(20)13-22-21-18-9-14-8-15(11-18)12-19(21)10-14;;/h1-7,14-15,18-19,21-22H,8-13H2;2*1H.
What are the key properties of N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride?
N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride has a molecular weight of 364.36 g/mol, XLogP of 5.60, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(naphthalen-1-ylmethyl)adamantan-2-amine;dihydrochloride is sourced from PubChem (CID 70365722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).