3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine

C12H18BrN3 — CID 106876124

IUPAC3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCN(c1nccc(C)c1Br)C1CCNC1
InChIInChI=1S/C12H18BrN3/c1-3-16(10-5-6-14-8-10)12-11(13)9(2)4-7-15-12/h4,7,10,14H,3,5-6,8H2,1-2H3
InChIKeyXUQQZNKFZKIAGZ-UHFFFAOYSA-N
MW284.20 g/mol
LogP2.34
Rot. Bonds3

About 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine

3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 106876124) has the molecular formula C12H18BrN3 and a molecular weight of 284.20 g/mol. Its IUPAC name is 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID106876124
Molecular FormulaC12H18BrN3
Molecular Weight284.20 g/mol
Exact Mass283.07
IUPAC Name3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCN(c1nccc(C)c1Br)C1CCNC1
InChIInChI=1S/C12H18BrN3/c1-3-16(10-5-6-14-8-10)12-11(13)9(2)4-7-15-12/h4,7,10,14H,3,5-6,8H2,1-2H3
InChIKeyXUQQZNKFZKIAGZ-UHFFFAOYSA-N
XLogP2.34
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-cyclopropyl-4-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 106876188
N-ethyl-6-methoxy-N-pyrrolidin-3-ylisoquinolin-1-amine
CID 106540581
N-(4-bromophenyl)-N-ethylpyrrolidin-3-amine
CID 70794412
N-[2-(aminomethyl)cyclopentyl]-3-bromo-N-ethyl-4-methylpyridin-2-amine
CID 106876164
3-bromo-N,N-diethyl-4-methylpyridin-2-amine
CID 106876527
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
N-(azetidin-3-yl)-N-ethyl-4-methyl-3-nitropyridin-2-amine
CID 66182623
N-ethyl-N-pyrrolidin-3-yl-1,3-thiazol-2-amine
CID 63300017
N-ethyl-4-methyl-N-piperidin-3-ylpyrimidin-2-amine
CID 63637344
3-bromo-N-ethyl-4-methyl-5-nitro-N-piperidin-3-ylpyridin-2-amine
CID 104508226
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
CID 55206297
N-propyl-N-pyrrolidin-3-ylfuro[3,2-c]pyridin-4-amine
CID 106535287

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine (CID 106876124) is 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine is CCN(c1nccc(C)c1Br)C1CCNC1.
What is the InChIKey of 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is XUQQZNKFZKIAGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3/c1-3-16(10-5-6-14-8-10)12-11(13)9(2)4-7-15-12/h4,7,10,14H,3,5-6,8H2,1-2H3.
What are the key properties of 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine?
3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 284.20 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-ethyl-4-methyl-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 106876124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).