N-(furan-2-ylmethyl)adamantan-1-amine

C15H21NO — CID 5035176

IUPACN-(furan-2-ylmethyl)adamantan-1-amine
SMILESc1coc(CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C15H21NO/c1-2-14(17-3-1)10-16-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13,16H,4-10H2
InChIKeyBQJTZOSPFAXOEO-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.34
Rot. Bonds3

About N-(furan-2-ylmethyl)adamantan-1-amine

N-(furan-2-ylmethyl)adamantan-1-amine (PubChem CID 5035176) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)adamantan-1-amine
PubChem CID5035176
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(furan-2-ylmethyl)adamantan-1-amine
SMILESc1coc(CNC23CC4CC(CC(C4)C2)C3)c1
InChIInChI=1S/C15H21NO/c1-2-14(17-3-1)10-16-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13,16H,4-10H2
InChIKeyBQJTZOSPFAXOEO-UHFFFAOYSA-N
XLogP3.34
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(furan-2-ylmethyl)adamantan-1-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-(furan-2-ylmethyl)adamantan-1-amine?
The IUPAC name of N-(furan-2-ylmethyl)adamantan-1-amine (CID 5035176) is N-(furan-2-ylmethyl)adamantan-1-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)adamantan-1-amine?
The canonical SMILES for N-(furan-2-ylmethyl)adamantan-1-amine is c1coc(CNC23CC4CC(CC(C4)C2)C3)c1.
What is the InChIKey of N-(furan-2-ylmethyl)adamantan-1-amine?
The InChIKey is BQJTZOSPFAXOEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-14(17-3-1)10-16-15-7-11-4-12(8-15)6-13(5-11)9-15/h1-3,11-13,16H,4-10H2.
What are the key properties of N-(furan-2-ylmethyl)adamantan-1-amine?
N-(furan-2-ylmethyl)adamantan-1-amine has a molecular weight of 231.34 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)adamantan-1-amine is sourced from PubChem (CID 5035176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).