N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine

C12H17BrN2 — CID 80669086

IUPACN-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
SMILESBrCCN(c1ccccn1)C1CCCC1
InChIInChI=1S/C12H17BrN2/c13-8-10-15(11-5-1-2-6-11)12-7-3-4-9-14-12/h3-4,7,9,11H,1-2,5-6,8,10H2
InChIKeyYIOBJMVZGSJHHN-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.23
Rot. Bonds4

About N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine

N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine (PubChem CID 80669086) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
PubChem CID80669086
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC NameN-(2-bromoethyl)-N-cyclopentylpyridin-2-amine
SMILESBrCCN(c1ccccn1)C1CCCC1
InChIInChI=1S/C12H17BrN2/c13-8-10-15(11-5-1-2-6-11)12-7-3-4-9-14-12/h3-4,7,9,11H,1-2,5-6,8,10H2
InChIKeyYIOBJMVZGSJHHN-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.23
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'-cyclobutyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 102874472
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-2-amine
CID 80668380
N-(2-bromoethyl)-N-cyclopentyl-3-fluoropyridin-2-amine
CID 80669537
N-(2-bromoethyl)-N-cyclobutyl-5-fluoropyridin-2-amine
CID 102871601
N-(2-bromoethyl)-N-cyclobutyl-6-methoxypyridin-2-amine
CID 102871547
N-(2-bromoethyl)-N-cyclobutyl-5-(trifluoromethyl)pyridin-2-amine
CID 102871511
N-(2-bromoethyl)-N-cyclohexylquinazolin-2-amine
CID 114789865
N-(2-bromoethyl)-N-cyclobutyl-3-propan-2-yloxypyridin-2-amine
CID 102871649
2-[cyclopropyl(pyridin-2-yl)amino]acetic acid
CID 82372467
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
CID 80668501
N-(2-bromoethyl)-N-cyclopropyl-6-methoxypyridin-2-amine
CID 80667350
N-(2-bromoethyl)-N-cyclopentyl-5-methylpyrimidin-2-amine
CID 80669094

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine?
The IUPAC name of N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine (CID 80669086) is N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine?
The canonical SMILES for N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine is BrCCN(c1ccccn1)C1CCCC1.
What is the InChIKey of N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine?
The InChIKey is YIOBJMVZGSJHHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c13-8-10-15(11-5-1-2-6-11)12-7-3-4-9-14-12/h3-4,7,9,11H,1-2,5-6,8,10H2.
What are the key properties of N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine?
N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-cyclopentylpyridin-2-amine is sourced from PubChem (CID 80669086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).