(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine

C9H12N2 — CID 74787997

IUPAC(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
SMILESC=Cc1ccncc1[C@H](C)N
InChIInChI=1S/C9H12N2/c1-3-8-4-5-11-6-9(8)7(2)10/h3-7H,1,10H2,2H3/t7-/m0/s1
InChIKeyLHGZIOHBUKYZMF-ZETCQYMHSA-N
MW148.21 g/mol
LogP1.74
Rot. Bonds2

About (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine

(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine (PubChem CID 74787997) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
PubChem CID74787997
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine
SMILESC=Cc1ccncc1[C@H](C)N
InChIInChI=1S/C9H12N2/c1-3-8-4-5-11-6-9(8)7(2)10/h3-7H,1,10H2,2H3/t7-/m0/s1
InChIKeyLHGZIOHBUKYZMF-ZETCQYMHSA-N
XLogP1.74
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethenyl-3-pyridinyl)ethanol
CID 20741865
1-(4-methyl-3-pyridinyl)ethanamine
CID 64988869
(1S)-1-(4-chloro-3-pyridinyl)ethanamine
CID 96955517
4-ethenyl-3-[(Z)-3-methylbut-1-enyl]pyridine
CID 142220960
(2R)-2-amino-1-(4-methyl-3-pyridinyl)propan-1-ol
CID 164658532
(1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine
CID 74890348
1-[4-(2-methylpropyl)-3-pyridinyl]ethanamine
CID 82409851
(1S)-1-(3-ethynyl-4-pyridinyl)ethanamine
CID 74788000
methyl 3-[(1S)-1-aminoethyl]pyridine-4-carboxylate
CID 130847866
3-ethenyl-4-[(E)-2-methoxyethenyl]pyridine
CID 143895761
1-(4-ethenyl-3-pyridinyl)cyclopropan-1-amine
CID 74891778
(3-propan-2-yl-4-pyridinyl)methanimine
CID 176559448

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine?
The IUPAC name of (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine (CID 74787997) is (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine.
What is the SMILES notation for (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine?
The canonical SMILES for (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine is C=Cc1ccncc1[C@H](C)N.
What is the InChIKey of (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine?
The InChIKey is LHGZIOHBUKYZMF-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H12N2/c1-3-8-4-5-11-6-9(8)7(2)10/h3-7H,1,10H2,2H3/t7-/m0/s1.
What are the key properties of (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine?
(1S)-1-(4-ethenyl-3-pyridinyl)ethanamine has a molecular weight of 148.21 g/mol, XLogP of 1.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4-ethenyl-3-pyridinyl)ethanamine is sourced from PubChem (CID 74787997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).