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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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).