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

C15H21NO — CID 784580

IUPACN-(furan-2-ylmethyl)adamantan-2-amine
SMILESc1coc(CNC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C15H21NO/c1-2-14(17-3-1)9-16-15-12-5-10-4-11(7-12)8-13(15)6-10/h1-3,10-13,15-16H,4-9H2
InChIKeyDOXOAHBMIXAJAL-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.19
Rot. Bonds3

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

N-(furan-2-ylmethyl)adamantan-2-amine (PubChem CID 784580) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)adamantan-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)adamantan-2-amine
PubChem CID784580
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-(furan-2-ylmethyl)adamantan-2-amine
SMILESc1coc(CNC2C3CC4CC(C3)CC2C4)c1
InChIInChI=1S/C15H21NO/c1-2-14(17-3-1)9-16-15-12-5-10-4-11(7-12)8-13(15)6-10/h1-3,10-13,15-16H,4-9H2
InChIKeyDOXOAHBMIXAJAL-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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)adamantan-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)adamantan-2-amine (CID 784580) is N-(furan-2-ylmethyl)adamantan-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)adamantan-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)adamantan-2-amine is c1coc(CNC2C3CC4CC(C3)CC2C4)c1.
What is the InChIKey of N-(furan-2-ylmethyl)adamantan-2-amine?
The InChIKey is DOXOAHBMIXAJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-2-14(17-3-1)9-16-15-12-5-10-4-11(7-12)8-13(15)6-10/h1-3,10-13,15-16H,4-9H2.
What are the key properties of N-(furan-2-ylmethyl)adamantan-2-amine?
N-(furan-2-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-2-ylmethyl)adamantan-2-amine is sourced from PubChem (CID 784580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).