3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine

C12H17BrN2 — CID 104800108

IUPAC3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cncc(Br)c1)C1CC1
InChIInChI=1S/C12H17BrN2/c1-14-12(10-3-4-10)5-2-9-6-11(13)8-15-7-9/h6-8,10,12,14H,2-5H2,1H3
InChIKeyBYEDBKYUQJOLRP-UHFFFAOYSA-N
MW269.19 g/mol
LogP2.77
Rot. Bonds5

About 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine

3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine (PubChem CID 104800108) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
PubChem CID104800108
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine
SMILESCNC(CCc1cncc(Br)c1)C1CC1
InChIInChI=1S/C12H17BrN2/c1-14-12(10-3-4-10)5-2-9-6-11(13)8-15-7-9/h6-8,10,12,14H,2-5H2,1H3
InChIKeyBYEDBKYUQJOLRP-UHFFFAOYSA-N
XLogP2.77
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

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Related Compounds

2-(5-bromo-3-pyridinyl)-1-cyclopentyl-N-methylethanamine
CID 104801480
3-(5-bromo-3-pyridinyl)-1-cyclopentylpropan-1-amine
CID 104800164
3-bromo-5-(3-chloro-3-cyclopentylpropyl)pyridine
CID 104810190
[2-(5-bromo-3-pyridinyl)-1-(4-methylcyclohexyl)ethyl]hydrazine
CID 105210485
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
1-cycloheptyl-N-methyl-3-pyridin-3-ylpropan-1-amine
CID 105176320
3-(5-bromo-3-pyridinyl)-N-methyl-1-phenylpropan-1-amine
CID 104799839
3-bromo-5-(3-chloropentyl)pyridine
CID 104810096
3-bromo-5-(3-bromohexyl)pyridine
CID 104810133
2-[(5-bromo-3-pyridinyl)methylamino]-N-cyclopropylpropanamide
CID 104797136
(1S)-N-[(5-bromo-3-pyridinyl)methyl]-1-cycloheptylethanamine
CID 104580020
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine (CID 104800108) is 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine is CNC(CCc1cncc(Br)c1)C1CC1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine?
The InChIKey is BYEDBKYUQJOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-14-12(10-3-4-10)5-2-9-6-11(13)8-15-7-9/h6-8,10,12,14H,2-5H2,1H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine?
3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine has a molecular weight of 269.19 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-1-cyclopropyl-N-methylpropan-1-amine is sourced from PubChem (CID 104800108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).