1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine

C12H17BrN2 — CID 106797713

IUPAC1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine
SMILESCNC(C)C1(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2/c1-9(14-2)12(3-4-12)6-10-5-11(13)8-15-7-10/h5,7-9,14H,3-4,6H2,1-2H3
InChIKeyPNVZECKILLNKGM-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.77
Rot. Bonds4

About 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine

1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine (PubChem CID 106797713) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine.

Molecular Properties

Compound Name1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine
PubChem CID106797713
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine
SMILESCNC(C)C1(Cc2cncc(Br)c2)CC1
InChIInChI=1S/C12H17BrN2/c1-9(14-2)12(3-4-12)6-10-5-11(13)8-15-7-10/h5,7-9,14H,3-4,6H2,1-2H3
InChIKeyPNVZECKILLNKGM-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine 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

2-(5-bromo-3-pyridinyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036656
2-(5-bromo-3-pyridinyl)-1-(2-methylthiolan-2-yl)ethanol
CID 105126484
3-(5-bromo-3-pyridinyl)-N,2-dimethylpropan-1-amine
CID 104810425
N-[[1-[(5-bromo-3-pyridinyl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 104810728
3-bromo-5-[(3-fluoropyrrolidin-3-yl)methyl]pyridine
CID 104814153
2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
2-(5-bromo-3-pyridinyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105036587
1-[1-[(5-bromo-3-pyridinyl)methyl]-4-tert-butylcyclohexyl]-N-methylmethanamine
CID 104810634
2-(5-bromo-3-pyridinyl)-N-methyl-1-(4-methylsulfanylphenyl)ethanamine
CID 105036943
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
CID 104800108
2-(5-bromo-3-pyridinyl)-N-methyl-1-(5-methylpyrimidin-2-yl)ethanamine
CID 104803789
1-(5-bromo-3-pyridinyl)propan-2-ylhydrazine
CID 105201192

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine?
The IUPAC name of 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine (CID 106797713) is 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine.
What is the SMILES notation for 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine?
The canonical SMILES for 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine is CNC(C)C1(Cc2cncc(Br)c2)CC1.
What is the InChIKey of 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine?
The InChIKey is PNVZECKILLNKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-9(14-2)12(3-4-12)6-10-5-11(13)8-15-7-10/h5,7-9,14H,3-4,6H2,1-2H3.
What are the key properties of 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine?
1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine has a molecular weight of 269.19 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(5-bromo-3-pyridinyl)methyl]cyclopropyl]-N-methylethanamine is sourced from PubChem (CID 106797713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).