3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine

C10H15BrN2 — CID 163375706

IUPAC3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccncc1Br
InChIInChI=1S/C10H15BrN2/c1-13(2)7-3-4-9-5-6-12-8-10(9)11/h5-6,8H,3-4,7H2,1-2H3
InChIKeyASLFPIYUGSKZRF-UHFFFAOYSA-N
MW243.15 g/mol
LogP2.34
Rot. Bonds4

About 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine

3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine (PubChem CID 163375706) has the molecular formula C10H15BrN2 and a molecular weight of 243.15 g/mol. Its IUPAC name is 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine
PubChem CID163375706
Molecular FormulaC10H15BrN2
Molecular Weight243.15 g/mol
Exact Mass242.04
IUPAC Name3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine
SMILESCN(C)CCCc1ccncc1Br
InChIInChI=1S/C10H15BrN2/c1-13(2)7-3-4-9-5-6-12-8-10(9)11/h5-6,8H,3-4,7H2,1-2H3
InChIKeyASLFPIYUGSKZRF-UHFFFAOYSA-N
XLogP2.34
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.15
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-bromo-4-ethylpyridine
CID 13160533
(3-bromo-4-pyridinyl)methanamine;dihydrochloride
CID 119081459
3-(2-bromo-5-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170865442
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
3-[[3-(chloromethyl)-4-pyridinyl]oxy]-N,N-dimethylpropan-1-amine
CID 81234059
N,N-dimethyl-3-(3-pyrimidin-4-yl-1H-pyrrolo[2,3-b]pyridin-4-yl)propan-1-amine
CID 141257516
3-(5-bromo-2-chlorophenyl)-N,N-dimethylpropan-1-amine
CID 170866064
1-[2-(3-bromo-4-pyridinyl)ethyl]piperazine
CID 84712711
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205426
N'-[4-[(tert-butylamino)methyl]-3-pyridinyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 105073949
1-(3-bromo-4-pyridinyl)-N-methylmethanesulfonamide
CID 165445527
4-heptyl-3-methylpyridine
CID 143666243

Frequently Asked Questions

What is the IUPAC name of 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine (CID 163375706) is 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine is CN(C)CCCc1ccncc1Br.
What is the InChIKey of 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine?
The InChIKey is ASLFPIYUGSKZRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2/c1-13(2)7-3-4-9-5-6-12-8-10(9)11/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine?
3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine has a molecular weight of 243.15 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromo-4-pyridinyl)-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 163375706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).