(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine

C15H16BrN3 — CID 125142267

IUPAC(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine
SMILESBrc1cncc([C@@H](NCc2ccccn2)C2CC2)c1
InChIInChI=1S/C15H16BrN3/c16-13-7-12(8-17-9-13)15(11-4-5-11)19-10-14-3-1-2-6-18-14/h1-3,6-9,11,15,19H,4-5,10H2/t15-/m0/s1
InChIKeyDIHKUBDJVLTKAM-HNNXBMFYSA-N
MW318.22 g/mol
LogP3.48
Rot. Bonds5

About (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine

(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 125142267) has the molecular formula C15H16BrN3 and a molecular weight of 318.22 g/mol. Its IUPAC name is (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID125142267
Molecular FormulaC15H16BrN3
Molecular Weight318.22 g/mol
Exact Mass317.05
IUPAC Name(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine
SMILESBrc1cncc([C@@H](NCc2ccccn2)C2CC2)c1
InChIInChI=1S/C15H16BrN3/c16-13-7-12(8-17-9-13)15(11-4-5-11)19-10-14-3-1-2-6-18-14/h1-3,6-9,11,15,19H,4-5,10H2/t15-/m0/s1
InChIKeyDIHKUBDJVLTKAM-HNNXBMFYSA-N
XLogP3.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.22
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-cycloheptyl-N-(pyridin-2-ylmethyl)ethanamine
CID 81391298
1-cyclopropyl-N-[(5-methyl-2-pyridinyl)methyl]-1-phenylmethanamine
CID 80707743
1-(4-bromophenyl)-N-(pyridin-2-ylmethyl)ethanamine
CID 43178958
3-bromo-5-[1-(pyridin-2-ylmethylsulfonyl)pyrrolidin-2-yl]pyridine
CID 166308747
1-(4-bromophenyl)-1-cyclobutyl-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 84588098
1-[(S)-cyclopropyl(phenyl)methyl]-3-(pyridin-2-ylmethyl)urea
CID 51469806
1-cyclopropyl-1-(4-fluorophenyl)-N-(pyridazin-3-ylmethyl)methanamine
CID 106895187
1-cyclopropyl-N-(pyridin-2-ylmethyl)pent-4-en-1-amine
CID 115751180
1-(4-bromophenyl)-2-(pyridin-2-ylmethylamino)propan-1-ol
CID 111421815
1-cyclopropyl-1-(4-methylphenyl)-N-[(5-methylpyrazin-2-yl)methyl]methanamine
CID 62847899
(5-bromo-3-pyridinyl)-cyclopropylmethanol;3,5-dibromopyridine
CID 160748574
6-[[[cyclopropyl(pyrimidin-2-yl)methyl]amino]methyl]pyridine-3-carbonitrile
CID 156830408

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine (CID 125142267) is (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine is Brc1cncc([C@@H](NCc2ccccn2)C2CC2)c1.
What is the InChIKey of (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is DIHKUBDJVLTKAM-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H16BrN3/c16-13-7-12(8-17-9-13)15(11-4-5-11)19-10-14-3-1-2-6-18-14/h1-3,6-9,11,15,19H,4-5,10H2/t15-/m0/s1.
What are the key properties of (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine?
(1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 318.22 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 125142267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).