N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine

C12H17BrN2O — CID 112582298

IUPACN-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O/c1-16-11-6-3-5-10(11)14-8-9-4-2-7-12(13)15-9/h2,4,7,10-11,14H,3,5-6,8H2,1H3
InChIKeyYIMDHPXRVSOABL-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.50
Rot. Bonds4

About N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine

N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine (PubChem CID 112582298) has the molecular formula C12H17BrN2O and a molecular weight of 285.19 g/mol. Its IUPAC name is N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine.

Molecular Properties

Compound NameN-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine
PubChem CID112582298
Molecular FormulaC12H17BrN2O
Molecular Weight285.19 g/mol
Exact Mass284.05
IUPAC NameN-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine
SMILESCOC1CCCC1NCc1cccc(Br)n1
InChIInChI=1S/C12H17BrN2O/c1-16-11-6-3-5-10(11)14-8-9-4-2-7-12(13)15-9/h2,4,7,10-11,14H,3,5-6,8H2,1H3
InChIKeyYIMDHPXRVSOABL-UHFFFAOYSA-N
XLogP2.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(3-bromophenyl)methyl]-2-methoxycyclohexan-1-amine
CID 61401371
N-(imidazo[1,2-a]pyridin-2-ylmethyl)-2-methoxycyclopentan-1-amine
CID 62088229
N-[(6-bromo-2-pyridinyl)methyl]-3,5-dimethylcyclohexan-1-amine
CID 112582422
2-methoxy-N-[(4-methoxy-6-methyl-2-pyridinyl)methyl]cyclopentan-1-amine
CID 82893823
N-[(2-bromo-5-methoxyphenyl)methyl]-2-methoxycyclopentan-1-amine
CID 65324218
2-[[(2-methoxycyclopentyl)amino]methyl]-6-methylphenol
CID 112554340
3-chloro-2-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 78960343
2-methoxy-N-(quinolin-8-ylmethyl)cyclohexan-1-amine
CID 79032067
2-bromo-4-[[(2-methoxycyclopentyl)amino]methyl]phenol
CID 63045556
2-methoxy-N-[(4-phenyl-1,3-thiazol-2-yl)methyl]cyclopentan-1-amine
CID 62901090
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-methoxycyclopentan-1-amine
CID 62086943
N-[(4,5-dibromothiophen-2-yl)methyl]-2-methoxycyclopentan-1-amine
CID 102835320

Frequently Asked Questions

What is the IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine?
The IUPAC name of N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine (CID 112582298) is N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine.
What is the SMILES notation for N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine?
The canonical SMILES for N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine is COC1CCCC1NCc1cccc(Br)n1.
What is the InChIKey of N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine?
The InChIKey is YIMDHPXRVSOABL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2O/c1-16-11-6-3-5-10(11)14-8-9-4-2-7-12(13)15-9/h2,4,7,10-11,14H,3,5-6,8H2,1H3.
What are the key properties of N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine?
N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine has a molecular weight of 285.19 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-bromo-2-pyridinyl)methyl]-2-methoxycyclopentan-1-amine is sourced from PubChem (CID 112582298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).