N-(cyclopentylmethyl)-1-phenylpropan-2-amine

C15H23N — CID 63012592

IUPACN-(cyclopentylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCC1CCCC1
InChIInChI=1S/C15H23N/c1-13(11-14-7-3-2-4-8-14)16-12-15-9-5-6-10-15/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3
InChIKeyOHYXBVLFJQPWJJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP3.40
Rot. Bonds5

About N-(cyclopentylmethyl)-1-phenylpropan-2-amine

N-(cyclopentylmethyl)-1-phenylpropan-2-amine (PubChem CID 63012592) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-phenylpropan-2-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-phenylpropan-2-amine
PubChem CID63012592
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC NameN-(cyclopentylmethyl)-1-phenylpropan-2-amine
SMILESCC(Cc1ccccc1)NCC1CCCC1
InChIInChI=1S/C15H23N/c1-13(11-14-7-3-2-4-8-14)16-12-15-9-5-6-10-15/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3
InChIKeyOHYXBVLFJQPWJJ-UHFFFAOYSA-N
XLogP3.40
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-phenylpropan-2-amine?
The IUPAC name of N-(cyclopentylmethyl)-1-phenylpropan-2-amine (CID 63012592) is N-(cyclopentylmethyl)-1-phenylpropan-2-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-phenylpropan-2-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1-phenylpropan-2-amine is CC(Cc1ccccc1)NCC1CCCC1.
What is the InChIKey of N-(cyclopentylmethyl)-1-phenylpropan-2-amine?
The InChIKey is OHYXBVLFJQPWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-13(11-14-7-3-2-4-8-14)16-12-15-9-5-6-10-15/h2-4,7-8,13,15-16H,5-6,9-12H2,1H3.
What are the key properties of N-(cyclopentylmethyl)-1-phenylpropan-2-amine?
N-(cyclopentylmethyl)-1-phenylpropan-2-amine has a molecular weight of 217.36 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-phenylpropan-2-amine is sourced from PubChem (CID 63012592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).