6-bromo-2-methylpiperidin-3-amine

C6H13BrN2 — CID 176942943

IUPAC6-bromo-2-methylpiperidin-3-amine
SMILESCC1NC(Br)CCC1N
InChIInChI=1S/C6H13BrN2/c1-4-5(8)2-3-6(7)9-4/h4-6,9H,2-3,8H2,1H3
InChIKeyPTLDNDSISUKJDF-UHFFFAOYSA-N
MW193.09 g/mol
LogP0.81
Rot. Bonds

About 6-bromo-2-methylpiperidin-3-amine

6-bromo-2-methylpiperidin-3-amine (PubChem CID 176942943) has the molecular formula C6H13BrN2 and a molecular weight of 193.09 g/mol. Its IUPAC name is 6-bromo-2-methylpiperidin-3-amine.

Molecular Properties

Compound Name6-bromo-2-methylpiperidin-3-amine
PubChem CID176942943
Molecular FormulaC6H13BrN2
Molecular Weight193.09 g/mol
Exact Mass192.03
IUPAC Name6-bromo-2-methylpiperidin-3-amine
SMILESCC1NC(Br)CCC1N
InChIInChI=1S/C6H13BrN2/c1-4-5(8)2-3-6(7)9-4/h4-6,9H,2-3,8H2,1H3
InChIKeyPTLDNDSISUKJDF-UHFFFAOYSA-N
XLogP0.81
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.09
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2,6-dimethylpiperidin-3-amine;dihydrochloride
CID 174859895
2-methyl-6-thiophen-2-ylpiperidin-3-amine
CID 165483665
cis-(1R,2S)-4-methylcyclohexane-1,2-diamine
CID 101451140
2,4-dimethylcyclohexan-1-amine
CID 14675373
3-amino-2-bromocyclopentane-1-carboxylic acid
CID 54079394
3-aminopiperidine-2,6-diol
CID 141025624
4-amino-5-methylpyrrolidine-2-carboxylic acid
CID 55289228
4-methylcyclohexane-1,2-diamine;sulfuric acid
CID 11528700
1-[3-(5-amino-6-methylpiperidin-2-yl)phenyl]ethanone
CID 165483274
(3S,4R)-3-amino-4-methylazetidin-2-ol
CID 118102125
(2S,3S,6S)-6-methyl-2-phenylpiperidin-3-amine
CID 21069315
(2R)-2-amino-4-methylcyclohexan-1-ol
CID 142197995

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methylpiperidin-3-amine?
The IUPAC name of 6-bromo-2-methylpiperidin-3-amine (CID 176942943) is 6-bromo-2-methylpiperidin-3-amine.
What is the SMILES notation for 6-bromo-2-methylpiperidin-3-amine?
The canonical SMILES for 6-bromo-2-methylpiperidin-3-amine is CC1NC(Br)CCC1N.
What is the InChIKey of 6-bromo-2-methylpiperidin-3-amine?
The InChIKey is PTLDNDSISUKJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13BrN2/c1-4-5(8)2-3-6(7)9-4/h4-6,9H,2-3,8H2,1H3.
What are the key properties of 6-bromo-2-methylpiperidin-3-amine?
6-bromo-2-methylpiperidin-3-amine has a molecular weight of 193.09 g/mol, XLogP of 0.81, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methylpiperidin-3-amine is sourced from PubChem (CID 176942943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).