N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine

C13H19BrN2 — CID 80672034

IUPACN-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
SMILESBrCCN(Cc1cccnc1)C1CCCC1
InChIInChI=1S/C13H19BrN2/c14-7-9-16(13-5-1-2-6-13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11H2
InChIKeyMMTZUTCDEASKSW-UHFFFAOYSA-N
MW283.21 g/mol
LogP3.22
Rot. Bonds5

About N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine

N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine (PubChem CID 80672034) has the molecular formula C13H19BrN2 and a molecular weight of 283.21 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
PubChem CID80672034
Molecular FormulaC13H19BrN2
Molecular Weight283.21 g/mol
Exact Mass282.07
IUPAC NameN-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine
SMILESBrCCN(Cc1cccnc1)C1CCCC1
InChIInChI=1S/C13H19BrN2/c14-7-9-16(13-5-1-2-6-13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11H2
InChIKeyMMTZUTCDEASKSW-UHFFFAOYSA-N
XLogP3.22
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-cyclohexyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 55242009
N-(2-bromoethyl)-N-(pyridin-4-ylmethyl)cyclobutanamine
CID 102861074
4-[cyclopropyl(pyridin-3-ylmethyl)amino]butan-1-ol
CID 56795318
2-[cycloheptyl(pyridin-3-ylmethyl)amino]acetic acid
CID 46993000
4-N-propyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79112211
N-propyl-N-(pyridin-3-ylmethyl)piperidin-3-amine
CID 55244721
N-(2-bromoethyl)-N-[(3-fluorophenyl)methyl]cyclobutanamine
CID 102860788
N-(cyclopropylmethyl)-N-(pyridin-3-ylmethyl)azepan-4-amine
CID 143113276
N-(2-bromoethyl)-N-[(4-ethylphenyl)methyl]cyclohexanamine
CID 80674380
3-[(3-aminocyclohexyl)-(pyridin-3-ylmethyl)amino]propanenitrile
CID 79468158
4-N-ethyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 79116173
3-[[4-(methylamino)cyclohexyl]-(pyridin-3-ylmethyl)amino]propanenitrile
CID 114762788

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine?
The IUPAC name of N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine (CID 80672034) is N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine.
What is the SMILES notation for N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine?
The canonical SMILES for N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine is BrCCN(Cc1cccnc1)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine?
The InChIKey is MMTZUTCDEASKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2/c14-7-9-16(13-5-1-2-6-13)11-12-4-3-8-15-10-12/h3-4,8,10,13H,1-2,5-7,9,11H2.
What are the key properties of N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine?
N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine has a molecular weight of 283.21 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-(pyridin-3-ylmethyl)cyclopentanamine is sourced from PubChem (CID 80672034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).