5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine

C12H18BrN3 — CID 104531544

IUPAC5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
SMILESCCN1CCCC1CNc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-2-16-5-3-4-12(16)9-15-11-6-10(13)7-14-8-11/h6-8,12,15H,2-5,9H2,1H3
InChIKeyHGBUDMGFLAZWPW-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.74
Rot. Bonds4

About 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine

5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine (PubChem CID 104531544) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
PubChem CID104531544
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine
SMILESCCN1CCCC1CNc1cncc(Br)c1
InChIInChI=1S/C12H18BrN3/c1-2-16-5-3-4-12(16)9-15-11-6-10(13)7-14-8-11/h6-8,12,15H,2-5,9H2,1H3
InChIKeyHGBUDMGFLAZWPW-UHFFFAOYSA-N
XLogP2.74
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(1-ethylpyrrolidin-2-yl)methyl]-6-N-methylpyrazine-2,6-diamine
CID 80777612
2-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-4-amine
CID 102824002
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazol-2-amine
CID 64622627
2-N-[(1-ethylpyrrolidin-2-yl)methyl]pyrimidine-2,5-diamine
CID 61146431
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-(trifluoromethyl)aniline
CID 65485563
2-[[(5-bromo-3-pyridinyl)amino]methyl]cyclohexan-1-ol
CID 115657758
5-bromo-4-[(1-ethylpyrrolidin-2-yl)methylamino]-1H-pyridazin-6-one
CID 115576964
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-5-methoxybenzene-1,3-diamine
CID 80723151
N-[(1-ethylpyrrolidin-2-yl)methyl]-5-fluoropyridin-2-amine
CID 61312935
3-amino-5-[(1-ethylpyrrolidin-2-yl)methylamino]benzenesulfonamide
CID 60987259
4-N-[(1-ethylpyrrolidin-2-yl)methyl]-1H-pyrazole-4,5-diamine
CID 82238130
3-N-[(1-ethylpyrrolidin-2-yl)methyl]-1-N-methyl-5-nitrobenzene-1,3-diamine
CID 80778168

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine?
The IUPAC name of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine (CID 104531544) is 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine?
The canonical SMILES for 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine is CCN1CCCC1CNc1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine?
The InChIKey is HGBUDMGFLAZWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-2-16-5-3-4-12(16)9-15-11-6-10(13)7-14-8-11/h6-8,12,15H,2-5,9H2,1H3.
What are the key properties of 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine?
5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine has a molecular weight of 284.20 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridin-3-amine is sourced from PubChem (CID 104531544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).