N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine

C13H25BrN2 — CID 107913798

IUPACN-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
SMILESBrCCN(CCN1CCCC1)C1CCCC1
InChIInChI=1S/C13H25BrN2/c14-7-10-16(13-5-1-2-6-13)12-11-15-8-3-4-9-15/h13H,1-12H2
InChIKeyYKZYLJYINBFGMS-UHFFFAOYSA-N
MW289.26 g/mol
LogP2.72
Rot. Bonds6

About N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine

N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine (PubChem CID 107913798) has the molecular formula C13H25BrN2 and a molecular weight of 289.26 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
PubChem CID107913798
Molecular FormulaC13H25BrN2
Molecular Weight289.26 g/mol
Exact Mass288.12
IUPAC NameN-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
SMILESBrCCN(CCN1CCCC1)C1CCCC1
InChIInChI=1S/C13H25BrN2/c14-7-10-16(13-5-1-2-6-13)12-11-15-8-3-4-9-15/h13H,1-12H2
InChIKeyYKZYLJYINBFGMS-UHFFFAOYSA-N
XLogP2.72
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine
CID 107913597
N-(2-bromoethyl)-N-(2-fluoroethyl)cyclobutanamine
CID 102860754
N'-(2-bromoethyl)-N'-cyclobutyl-N,N-dimethylethane-1,2-diamine
CID 102861077
N-(2-bromoethyl)-N-(cyclobutylmethyl)cyclopentanamine
CID 80672742
N-(2-bromoethyl)-N-(2-cyclopropylethyl)cyclobutanamine
CID 102860767
N'-cyclohexyl-N'-(2-morpholin-4-ylethyl)ethane-1,2-diamine
CID 55242012
N'-(2-bromoethyl)-N'-cyclopentyl-N,N-dimethylpropane-1,3-diamine
CID 114526677
N,N-bis(piperidin-1-ylmethyl)cyclohexanamine
CID 174740959
N-(2-bromoethyl)-N-(3,3-dimethylbutyl)cyclohexanamine
CID 80674486
N-(2-bromoethyl)-N-prop-2-enylcyclopentanamine
CID 80672416
N-(2-bromoethyl)-N-pentylcyclobutanamine
CID 102860969
N-(2-bromoethyl)-N-(2-propylsulfonylethyl)cyclopentanamine
CID 106731144

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine (CID 107913798) is N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine is BrCCN(CCN1CCCC1)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine?
The InChIKey is YKZYLJYINBFGMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2/c14-7-10-16(13-5-1-2-6-13)12-11-15-8-3-4-9-15/h13H,1-12H2.
What are the key properties of N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine?
N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine has a molecular weight of 289.26 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(2-pyrrolidin-1-ylethyl)cyclopentanamine is sourced from PubChem (CID 107913798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).