1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine

C12H17BrN2 — CID 103735817

IUPAC1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2ccc(Br)cn2)CCC1
InChIInChI=1S/C12H17BrN2/c1-12(5-2-6-12)9-14-8-11-4-3-10(13)7-15-11/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyKBYIRFOCHJOVDE-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.12
Rot. Bonds4

About 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine

1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine (PubChem CID 103735817) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine.

Molecular Properties

Compound Name1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
PubChem CID103735817
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine
SMILESCC1(CNCc2ccc(Br)cn2)CCC1
InChIInChI=1S/C12H17BrN2/c1-12(5-2-6-12)9-14-8-11-4-3-10(13)7-15-11/h3-4,7,14H,2,5-6,8-9H2,1H3
InChIKeyKBYIRFOCHJOVDE-UHFFFAOYSA-N
XLogP3.12
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-bromo-2-pyridinyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735445
3-[[(5-bromo-2-pyridinyl)methylamino]methyl]-2-methyloxolan-3-ol
CID 107268416
N-[(5-bromo-2-pyridinyl)methyl]-2-chloropropan-1-amine
CID 104811160
N-[(1-methylcyclopentyl)methyl]-1-quinoxalin-2-ylmethanamine
CID 63821652
N-[[1-[(5-bromo-2-pyridinyl)methyl]cyclobutyl]methyl]propan-1-amine
CID 104810723
1-(2-bromophenyl)-N-[(1-methylcyclobutyl)methyl]methanamine
CID 103735964
N-[(1-methylcyclobutyl)methyl]-1-(1-methylpyrazol-3-yl)methanamine;hydrochloride
CID 115680433
N-[(5-bromo-2-pyridinyl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 115656244
N-[(5-bromo-2-pyridinyl)methyl]pent-4-yn-1-amine
CID 103701794
5-bromo-2-[(3,3-dimethylpyrrolidin-1-yl)methyl]pyridine
CID 115666089
2-(5-bromo-2-pyridinyl)-1-(1-methylcyclopentyl)ethanamine
CID 105036053
1-(5-bromo-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 103275506

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The IUPAC name of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine (CID 103735817) is 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine.
What is the SMILES notation for 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The canonical SMILES for 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine is CC1(CNCc2ccc(Br)cn2)CCC1.
What is the InChIKey of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
The InChIKey is KBYIRFOCHJOVDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-12(5-2-6-12)9-14-8-11-4-3-10(13)7-15-11/h3-4,7,14H,2,5-6,8-9H2,1H3.
What are the key properties of 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine?
1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine has a molecular weight of 269.19 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-pyridinyl)-N-[(1-methylcyclobutyl)methyl]methanamine is sourced from PubChem (CID 103735817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).