N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine

C19H29N — CID 63508646

IUPACN-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
SMILESCCC(CNC1CC1)(CC1CCCC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-2-19(15-20-18-12-13-18,14-16-8-6-7-9-16)17-10-4-3-5-11-17/h3-5,10-11,16,18,20H,2,6-9,12-15H2,1H3
InChIKeyWIUDTZNJKUJETI-UHFFFAOYSA-N
MW271.45 g/mol
LogP4.67
Rot. Bonds7

About N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine

N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine (PubChem CID 63508646) has the molecular formula C19H29N and a molecular weight of 271.45 g/mol. Its IUPAC name is N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
PubChem CID63508646
Molecular FormulaC19H29N
Molecular Weight271.45 g/mol
Exact Mass271.23
IUPAC NameN-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine
SMILESCCC(CNC1CC1)(CC1CCCC1)c1ccccc1
InChIInChI=1S/C19H29N/c1-2-19(15-20-18-12-13-18,14-16-8-6-7-9-16)17-10-4-3-5-11-17/h3-5,10-11,16,18,20H,2,6-9,12-15H2,1H3
InChIKeyWIUDTZNJKUJETI-UHFFFAOYSA-N
XLogP4.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.45
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine (CID 63508646) is N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine is CCC(CNC1CC1)(CC1CCCC1)c1ccccc1.
What is the InChIKey of N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine?
The InChIKey is WIUDTZNJKUJETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N/c1-2-19(15-20-18-12-13-18,14-16-8-6-7-9-16)17-10-4-3-5-11-17/h3-5,10-11,16,18,20H,2,6-9,12-15H2,1H3.
What are the key properties of N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine?
N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine has a molecular weight of 271.45 g/mol, XLogP of 4.67, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclopentylmethyl)-2-phenylbutyl]cyclopropanamine is sourced from PubChem (CID 63508646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).