3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine

C9H13N3 — CID 74788017

IUPAC3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine
SMILESC=Cc1cnc(N)c([C@H](C)N)c1
InChIInChI=1S/C9H13N3/c1-3-7-4-8(6(2)10)9(11)12-5-7/h3-6H,1,10H2,2H3,(H2,11,12)/t6-/m0/s1
InChIKeyMNOCMCNQEPCEOE-LURJTMIESA-N
MW163.22 g/mol
LogP1.33
Rot. Bonds2

About 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine

3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine (PubChem CID 74788017) has the molecular formula C9H13N3 and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine
PubChem CID74788017
Molecular FormulaC9H13N3
Molecular Weight163.22 g/mol
Exact Mass163.11
IUPAC Name3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine
SMILESC=Cc1cnc(N)c([C@H](C)N)c1
InChIInChI=1S/C9H13N3/c1-3-7-4-8(6(2)10)9(11)12-5-7/h3-6H,1,10H2,2H3,(H2,11,12)/t6-/m0/s1
InChIKeyMNOCMCNQEPCEOE-LURJTMIESA-N
XLogP1.33
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(1S)-1-aminoethyl]-5-nitropyridin-2-amine
CID 131043079
3-(1-aminobut-3-enyl)-5-methylpyridin-2-amine
CID 55291746
3-(1-aminoprop-2-enyl)-5-methylpyridin-2-amine
CID 55291745
5-ethenyl-2-N-methylpyridine-2,3-diamine
CID 74890327
2-chloro-5-ethenylpyridin-3-amine
CID 74891699
3-[(1S)-1-aminoprop-2-enyl]-5-chloropyridin-2-amine
CID 130955912
3-[(1S)-1-aminoprop-2-enyl]-5-iodopyridin-2-amine
CID 130691652
1-(2-amino-5-chloro-3-pyridinyl)but-3-en-1-ol
CID 116659950
3-[6-amino-5-(1-hydroxypropyl)-3-pyridinyl]prop-2-enoic acid
CID 90795967
(5-ethenyl-3-methyl-2-pyridinyl)hydrazine
CID 74888717
1-(2-amino-5-methyl-3-pyridinyl)propane-1,2-diol
CID 103452733
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
CID 74787997

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine?
The IUPAC name of 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine (CID 74788017) is 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine.
What is the SMILES notation for 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine?
The canonical SMILES for 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine is C=Cc1cnc(N)c([C@H](C)N)c1.
What is the InChIKey of 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine?
The InChIKey is MNOCMCNQEPCEOE-LURJTMIESA-N. The full InChI is InChI=1S/C9H13N3/c1-3-7-4-8(6(2)10)9(11)12-5-7/h3-6H,1,10H2,2H3,(H2,11,12)/t6-/m0/s1.
What are the key properties of 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine?
3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine has a molecular weight of 163.22 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1S)-1-aminoethyl]-5-ethenylpyridin-2-amine is sourced from PubChem (CID 74788017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).