3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine

C12H17BrN2 — CID 106876628

IUPAC3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)C(C)C2CC2)c1Br
InChIInChI=1S/C12H17BrN2/c1-8-6-7-14-12(11(8)13)15(3)9(2)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3
InChIKeyDMGWPFXLCYNDIP-UHFFFAOYSA-N
MW269.19 g/mol
LogP3.39
Rot. Bonds3

About 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine

3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine (PubChem CID 106876628) has the molecular formula C12H17BrN2 and a molecular weight of 269.19 g/mol. Its IUPAC name is 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine
PubChem CID106876628
Molecular FormulaC12H17BrN2
Molecular Weight269.19 g/mol
Exact Mass268.06
IUPAC Name3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine
SMILESCc1ccnc(N(C)C(C)C2CC2)c1Br
InChIInChI=1S/C12H17BrN2/c1-8-6-7-14-12(11(8)13)15(3)9(2)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3
InChIKeyDMGWPFXLCYNDIP-UHFFFAOYSA-N
XLogP3.39
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-5-bromo-4-methylpyridine
CID 817695
PETT deriv. 6
CID 492697
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
4-(aminomethyl)-N,N-dimethylpyridin-2-amine
CID 16787804
5-bromo-N,N-dimethylpyridin-2-amine
CID 3803041
5-bromo-N-[4-(diethylamino)benzyl]-2-pyridinamine
CID 975753
3,5-dibromo-N-[4-(dimethylamino)benzyl]pyridin-2-amine
CID 3640000
N-[(4-bromophenyl)methyl]-4-methylpyridin-2-amine
CID 975672
N1-((4-Bromophenyl)methyl)-N2,N2-dimethyl-N1-2-pyridinyl-1,2-ethanediamine
CID 26764
Pyridine, 2-(N-(2-diethylaminoethyl)-N-pentylamino)-4-methyl-
CID 212051
Pyridine, 2-(N-(2-dimethylaminoethyl)-N-hexylamino)-4-methyl-
CID 212053
Pyridine, 2-((m-bromobenzyl)(2-(dimethylamino)ethyl)amino)-
CID 3039937

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine?
The IUPAC name of 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine (CID 106876628) is 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine is Cc1ccnc(N(C)C(C)C2CC2)c1Br.
What is the InChIKey of 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine?
The InChIKey is DMGWPFXLCYNDIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN2/c1-8-6-7-14-12(11(8)13)15(3)9(2)10-4-5-10/h6-7,9-10H,4-5H2,1-3H3.
What are the key properties of 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine?
3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine has a molecular weight of 269.19 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(1-cyclopropylethyl)-N,4-dimethylpyridin-2-amine is sourced from PubChem (CID 106876628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).