(1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine

C10H14N2 — CID 74890348

IUPAC(1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine
SMILESC=Cc1cnccc1[C@H](C)NC
InChIInChI=1S/C10H14N2/c1-4-9-7-12-6-5-10(9)8(2)11-3/h4-8,11H,1H2,2-3H3/t8-/m0/s1
InChIKeyPSBLHGBTMZFAPO-QMMMGPOBSA-N
MW162.24 g/mol
LogP2.01
Rot. Bonds3

About (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine

(1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine (PubChem CID 74890348) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine.

Molecular Properties

Compound Name(1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine
PubChem CID74890348
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine
SMILESC=Cc1cnccc1[C@H](C)NC
InChIInChI=1S/C10H14N2/c1-4-9-7-12-6-5-10(9)8(2)11-3/h4-8,11H,1H2,2-3H3/t8-/m0/s1
InChIKeyPSBLHGBTMZFAPO-QMMMGPOBSA-N
XLogP2.01
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine?
The IUPAC name of (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine (CID 74890348) is (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine.
What is the SMILES notation for (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine?
The canonical SMILES for (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine is C=Cc1cnccc1[C@H](C)NC.
What is the InChIKey of (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine?
The InChIKey is PSBLHGBTMZFAPO-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14N2/c1-4-9-7-12-6-5-10(9)8(2)11-3/h4-8,11H,1H2,2-3H3/t8-/m0/s1.
What are the key properties of (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine?
(1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine has a molecular weight of 162.24 g/mol, XLogP of 2.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-ethenyl-4-pyridinyl)-N-methylethanamine is sourced from PubChem (CID 74890348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).