N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine

C16H29N — CID 82933969

IUPACN-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCCC2)CC2CCC1C2
InChIInChI=1S/C16H29N/c1-12(2)17-11-16(14-5-3-4-6-14)10-13-7-8-15(16)9-13/h12-15,17H,3-11H2,1-2H3
InChIKeyPKTVBDBKRVYYPA-UHFFFAOYSA-N
MW235.41 g/mol
LogP3.98
Rot. Bonds4

About N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine

N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine (PubChem CID 82933969) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
PubChem CID82933969
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC NameN-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine
SMILESCC(C)NCC1(C2CCCC2)CC2CCC1C2
InChIInChI=1S/C16H29N/c1-12(2)17-11-16(14-5-3-4-6-14)10-13-7-8-15(16)9-13/h12-15,17H,3-11H2,1-2H3
InChIKeyPKTVBDBKRVYYPA-UHFFFAOYSA-N
XLogP3.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-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-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The IUPAC name of N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine (CID 82933969) is N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine.
What is the SMILES notation for N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The canonical SMILES for N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine is CC(C)NCC1(C2CCCC2)CC2CCC1C2.
What is the InChIKey of N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
The InChIKey is PKTVBDBKRVYYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N/c1-12(2)17-11-16(14-5-3-4-6-14)10-13-7-8-15(16)9-13/h12-15,17H,3-11H2,1-2H3.
What are the key properties of N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine?
N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine has a molecular weight of 235.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclopentyl-2-bicyclo[2.2.1]heptanyl)methyl]propan-2-amine is sourced from PubChem (CID 82933969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).