3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine

C12H16BrClN2 — CID 106879069

IUPAC3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC2CC(Cl)C2(C)C)c1Br
InChIInChI=1S/C12H16BrClN2/c1-7-4-5-15-11(10(7)13)16-9-6-8(14)12(9,2)3/h4-5,8-9H,6H2,1-3H3,(H,15,16)
InChIKeyAXWZJVUBHIXRDW-UHFFFAOYSA-N
MW303.63 g/mol
LogP3.97
Rot. Bonds2

About 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine

3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine (PubChem CID 106879069) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine
PubChem CID106879069
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine
SMILESCc1ccnc(NC2CC(Cl)C2(C)C)c1Br
InChIInChI=1S/C12H16BrClN2/c1-7-4-5-15-11(10(7)13)16-9-6-8(14)12(9,2)3/h4-5,8-9H,6H2,1-3H3,(H,15,16)
InChIKeyAXWZJVUBHIXRDW-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 53.97
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

3-bromo-N-cyclopropyl-4-methylpyridin-2-amine
CID 97181175
N-(3-chloro-2,2-dimethylcyclobutyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
CID 114632035
N-(3-chloro-2,2-dimethylcyclobutyl)-4,6-dimethylpyrimidin-2-amine
CID 114632026
3-bromo-4-methyl-N-(1-methylcyclobutyl)pyridin-2-amine
CID 106875940
N-(3-chloro-2,2-dimethylcyclobutyl)-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 114632152
3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
CID 106875451
5-[(3-bromo-4-methyl-2-pyridinyl)amino]piperidin-2-one
CID 106875729
3-bromo-N-[(4S)-4-methoxypyrrolidin-3-yl]-4-methylpyridin-2-amine
CID 106876065
5-chloro-4-[(3-chloro-2,2-dimethylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 137001404
3-bromo-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 106876094
N-(3-chloro-2,2-dimethylcyclobutyl)-5-iodopyrimidin-2-amine
CID 114632036
1-N-(5-bromoisoquinolin-1-yl)-2,2-dimethylcyclobutane-1,3-diamine
CID 106543608

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine (CID 106879069) is 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine is Cc1ccnc(NC2CC(Cl)C2(C)C)c1Br.
What is the InChIKey of 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine?
The InChIKey is AXWZJVUBHIXRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c1-7-4-5-15-11(10(7)13)16-9-6-8(14)12(9,2)3/h4-5,8-9H,6H2,1-3H3,(H,15,16).
What are the key properties of 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine?
3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(3-chloro-2,2-dimethylcyclobutyl)-4-methylpyridin-2-amine is sourced from PubChem (CID 106879069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).