N-(cyclopentylmethyl)adamantan-1-amine

C16H27N — CID 61345167

IUPACN-(cyclopentylmethyl)adamantan-1-amine
SMILESC1CCC(CNC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H27N/c1-2-4-12(3-1)11-17-16-8-13-5-14(9-16)7-15(6-13)10-16/h12-15,17H,1-11H2
InChIKeyGXXQBMCLOGLXDC-UHFFFAOYSA-N
MW233.40 g/mol
LogP3.73
Rot. Bonds3

About N-(cyclopentylmethyl)adamantan-1-amine

N-(cyclopentylmethyl)adamantan-1-amine (PubChem CID 61345167) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)adamantan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)adamantan-1-amine
PubChem CID61345167
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC NameN-(cyclopentylmethyl)adamantan-1-amine
SMILESC1CCC(CNC23CC4CC(CC(C4)C2)C3)C1
InChIInChI=1S/C16H27N/c1-2-4-12(3-1)11-17-16-8-13-5-14(9-16)7-15(6-13)10-16/h12-15,17H,1-11H2
InChIKeyGXXQBMCLOGLXDC-UHFFFAOYSA-N
XLogP3.73
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)adamantan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)adamantan-1-amine (CID 61345167) is N-(cyclopentylmethyl)adamantan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)adamantan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)adamantan-1-amine is C1CCC(CNC23CC4CC(CC(C4)C2)C3)C1.
What is the InChIKey of N-(cyclopentylmethyl)adamantan-1-amine?
The InChIKey is GXXQBMCLOGLXDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-2-4-12(3-1)11-17-16-8-13-5-14(9-16)7-15(6-13)10-16/h12-15,17H,1-11H2.
What are the key properties of N-(cyclopentylmethyl)adamantan-1-amine?
N-(cyclopentylmethyl)adamantan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)adamantan-1-amine is sourced from PubChem (CID 61345167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).