3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine

C12H16Br2N2 — CID 106879028

IUPAC3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)CC2CC(Br)C2)c1Br
InChIInChI=1S/C12H16Br2N2/c1-8-3-4-15-12(11(8)14)16(2)7-9-5-10(13)6-9/h3-4,9-10H,5-7H2,1-2H3
InChIKeyLNFBKGOHWVZZRO-UHFFFAOYSA-N
MW348.08 g/mol
LogP3.76
Rot. Bonds3

About 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine

3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine (PubChem CID 106879028) has the molecular formula C12H16Br2N2 and a molecular weight of 348.08 g/mol. Its IUPAC name is 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine
PubChem CID106879028
Molecular FormulaC12H16Br2N2
Molecular Weight348.08 g/mol
Exact Mass345.97
IUPAC Name3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)CC2CC(Br)C2)c1Br
InChIInChI=1S/C12H16Br2N2/c1-8-3-4-15-12(11(8)14)16(2)7-9-5-10(13)6-9/h3-4,9-10H,5-7H2,1-2H3
InChIKeyLNFBKGOHWVZZRO-UHFFFAOYSA-N
XLogP3.76
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.08
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-bromocyclobutyl)methyl-methylamino]-1-ethylpyrazin-2-one
CID 80679911
3-bromo-N-(2,2-dimethylpropyl)-N,4-dimethylpyridin-2-amine
CID 106876953
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylpropane-1,2-diamine
CID 106879126
1-N-(3-bromo-4-methyl-2-pyridinyl)-1-N-methylbutane-1,3-diamine
CID 106879197
3-[[(5-amino-3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]cyclobutan-1-ol
CID 104506975
N-[[2-(aminomethyl)phenyl]methyl]-3-bromo-N,4-dimethylpyridin-2-amine
CID 106875252
3-bromo-N-[(5-chlorothiophen-2-yl)methyl]-N,4-dimethylpyridin-2-amine
CID 106876765
N'-(3-bromo-4-methyl-2-pyridinyl)-N-ethyl-N'-methylethane-1,2-diamine
CID 106878733
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
N-[(3-bromocyclobutyl)methyl]-N-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-amine
CID 80680032
N-[(3-bromocyclobutyl)methyl]-N,6-dimethylpyridazin-3-amine
CID 80679554
3-bromo-N-(furan-3-ylmethyl)-N,4-dimethylpyridin-2-amine
CID 106876742

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine (CID 106879028) is 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)CC2CC(Br)C2)c1Br.
What is the InChIKey of 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine?
The InChIKey is LNFBKGOHWVZZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2/c1-8-3-4-15-12(11(8)14)16(2)7-9-5-10(13)6-9/h3-4,9-10H,5-7H2,1-2H3.
What are the key properties of 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine?
3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine has a molecular weight of 348.08 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(3-bromocyclobutyl)methyl]-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 106879028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).