5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine

C12H16BrClN2 — CID 115363614

IUPAC5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
SMILESClCC1(CNc2ccc(Br)cn2)CCCC1
InChIInChI=1S/C12H16BrClN2/c13-10-3-4-11(15-7-10)16-9-12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8-9H2,(H,15,16)
InChIKeyIPUDSHZQQZUQRC-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.06
Rot. Bonds4

About 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine

5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine (PubChem CID 115363614) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
PubChem CID115363614
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
SMILESClCC1(CNc2ccc(Br)cn2)CCCC1
InChIInChI=1S/C12H16BrClN2/c13-10-3-4-11(15-7-10)16-9-12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8-9H2,(H,15,16)
InChIKeyIPUDSHZQQZUQRC-UHFFFAOYSA-N
XLogP4.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]pyridin-2-amine
CID 103969232
N-[[1-(chloromethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
CID 115455809
5-bromo-N-[(1-methylsulfanylcyclohexyl)methyl]pyridin-2-amine
CID 114117145
5-bromo-N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridin-2-amine
CID 114047951
N-[[1-(chloromethyl)cyclopentyl]methyl]quinolin-2-amine
CID 113294666
2-[[(5-bromo-2-pyridinyl)amino]methyl]-2-methylcyclohexan-1-ol
CID 133344187
N-[[1-(chloromethyl)cyclohexyl]methyl]-2-methylpyrimidin-4-amine
CID 103969271
N-[[1-(chloromethyl)cyclohexyl]methyl]-5-fluoropyrimidin-2-amine
CID 104606755
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-5-fluoropyridin-2-amine
CID 114757767
N-[[1-(chloromethyl)cyclopentyl]methyl]-5-methylpyridazin-3-amine
CID 106550702
N-[[1-(chloromethyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
CID 103969220
N-[[1-(chloromethyl)cyclopentyl]methyl]-6-ethoxypyrimidin-4-amine
CID 113294686

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine (CID 115363614) is 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine is ClCC1(CNc2ccc(Br)cn2)CCCC1.
What is the InChIKey of 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
The InChIKey is IPUDSHZQQZUQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-10-3-4-11(15-7-10)16-9-12(8-14)5-1-2-6-12/h3-4,7H,1-2,5-6,8-9H2,(H,15,16).
What are the key properties of 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine?
5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[[1-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine is sourced from PubChem (CID 115363614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).