(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine

C9H12N2O — CID 131218927

IUPAC(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccnc1OC
InChIInChI=1S/C9H12N2O/c1-3-8(10)7-5-4-6-11-9(7)12-2/h3-6,8H,1,10H2,2H3/t8-/m0/s1
InChIKeyKNLVLFFOFYZYCC-QMMMGPOBSA-N
MW164.21 g/mol
LogP1.28
Rot. Bonds3

About (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine

(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine (PubChem CID 131218927) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine.

Molecular Properties

Compound Name(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
PubChem CID131218927
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine
SMILESC=C[C@H](N)c1cccnc1OC
InChIInChI=1S/C9H12N2O/c1-3-8(10)7-5-4-6-11-9(7)12-2/h3-6,8H,1,10H2,2H3/t8-/m0/s1
InChIKeyKNLVLFFOFYZYCC-QMMMGPOBSA-N
XLogP1.28
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxy-3-pyridinyl)prop-2-enylhydrazine
CID 105318001
(1S)-1-(2-methylsulfanyl-3-pyridinyl)prop-2-en-1-amine
CID 131048292
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-ol
CID 55292838
(1S)-1-(2-methoxyphenyl)prop-2-en-1-amine
CID 124509135
ethane;2-methoxy-3-propan-2-ylpyridine
CID 155741549
5-[(1R)-1-aminoprop-2-enyl]-6-methoxypyridin-3-amine
CID 55274368
1-amino-1-(2-methoxy-3-pyridinyl)propan-2-one
CID 55295483
(2-methoxy-3-pyridinyl)-(2-methylphenyl)methanamine
CID 105094474
2-cyclopropyl-1-(2-methoxy-3-pyridinyl)ethanamine
CID 55297501
2-methoxy-3-[(2R)-3-methylbutan-2-yl]pyridine
CID 176962095
(1R)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130632467
(1S)-1-(5-bromo-2-methoxy-3-pyridinyl)prop-2-en-1-amine
CID 130690048

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine?
The IUPAC name of (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine (CID 131218927) is (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine.
What is the SMILES notation for (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine?
The canonical SMILES for (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine is C=C[C@H](N)c1cccnc1OC.
What is the InChIKey of (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine?
The InChIKey is KNLVLFFOFYZYCC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H12N2O/c1-3-8(10)7-5-4-6-11-9(7)12-2/h3-6,8H,1,10H2,2H3/t8-/m0/s1.
What are the key properties of (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine?
(1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine has a molecular weight of 164.21 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2-methoxy-3-pyridinyl)prop-2-en-1-amine is sourced from PubChem (CID 131218927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).