N-(furan-3-ylmethyl)adamantan-2-amine

C15H21NO — CID 44554070

IUPACN-(furan-3-ylmethyl)adamantan-2-amine
SMILESc1cc(CNC2C3CC4CC(C3)CC2C4)co1
InChIInChI=1S/C15H21NO/c1-2-17-9-10(1)8-16-15-13-4-11-3-12(6-13)7-14(15)5-11/h1-2,9,11-16H,3-8H2
InChIKeyLRBQDQMXJBGIDG-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds3

About N-(furan-3-ylmethyl)adamantan-2-amine

N-(furan-3-ylmethyl)adamantan-2-amine (PubChem CID 44554070) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(furan-3-ylmethyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(furan-3-ylmethyl)adamantan-2-amine
PubChem CID44554070
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(furan-3-ylmethyl)adamantan-2-amine
SMILESc1cc(CNC2C3CC4CC(C3)CC2C4)co1
InChIInChI=1S/C15H21NO/c1-2-17-9-10(1)8-16-15-13-4-11-3-12(6-13)7-14(15)5-11/h1-2,9,11-16H,3-8H2
InChIKeyLRBQDQMXJBGIDG-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(furan-3-ylmethyl)adamantan-2-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-3-ylmethyl)adamantan-2-amine?
The IUPAC name of N-(furan-3-ylmethyl)adamantan-2-amine (CID 44554070) is N-(furan-3-ylmethyl)adamantan-2-amine.
What is the SMILES notation for N-(furan-3-ylmethyl)adamantan-2-amine?
The canonical SMILES for N-(furan-3-ylmethyl)adamantan-2-amine is c1cc(CNC2C3CC4CC(C3)CC2C4)co1.
What is the InChIKey of N-(furan-3-ylmethyl)adamantan-2-amine?
The InChIKey is LRBQDQMXJBGIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-17-9-10(1)8-16-15-13-4-11-3-12(6-13)7-14(15)5-11/h1-2,9,11-16H,3-8H2.
What are the key properties of N-(furan-3-ylmethyl)adamantan-2-amine?
N-(furan-3-ylmethyl)adamantan-2-amine has a molecular weight of 231.34 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-3-ylmethyl)adamantan-2-amine is sourced from PubChem (CID 44554070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).