(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine

C10H14N2O — CID 171203601

IUPAC(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1ccc(OC)nc1
InChIInChI=1S/C10H14N2O/c1-3-4-9(11)8-5-6-10(13-2)12-7-8/h3,5-7,9H,1,4,11H2,2H3/t9-/m1/s1
InChIKeyXTJAUUSGNUULFQ-SECBINFHSA-N
MW178.23 g/mol
LogP1.67
Rot. Bonds4

About (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine

(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine (PubChem CID 171203601) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine.

Molecular Properties

Compound Name(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
PubChem CID171203601
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Name(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
SMILESC=CC[C@@H](N)c1ccc(OC)nc1
InChIInChI=1S/C10H14N2O/c1-3-4-9(11)8-5-6-10(13-2)12-7-8/h3,5-7,9H,1,4,11H2,2H3/t9-/m1/s1
InChIKeyXTJAUUSGNUULFQ-SECBINFHSA-N
XLogP1.67
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.67
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

(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
(1R)-1-(6-bromo-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171203312
(1R)-1-(6-chloro-3-pyridinyl)but-3-en-1-amine;hydrochloride
CID 171198788
3,3,3-trifluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine
CID 112693379
(1R)-3,3-difluoro-1-(6-methoxy-3-pyridinyl)propan-1-amine;hydrochloride
CID 171313628
3-amino-3-(6-methoxy-3-pyridinyl)propan-1-ol;hydrochloride
CID 170874858
(1R)-1-(6-methoxy-3-pyridinyl)pentan-1-amine
CID 55278684
(3S)-3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 7016830
3-amino-3-(6-methoxy-3-pyridinyl)propanoic acid
CID 18000263
(1R)-1-(6-methoxy-3-pyridinyl)butane-1,4-diamine;hydrochloride
CID 171203596
1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine
CID 114937199
5-[(1R)-1-aminobut-3-enyl]pyridine-2-carbonitrile
CID 131097026

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine?
The IUPAC name of (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine (CID 171203601) is (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine.
What is the SMILES notation for (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine?
The canonical SMILES for (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine is C=CC[C@@H](N)c1ccc(OC)nc1.
What is the InChIKey of (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine?
The InChIKey is XTJAUUSGNUULFQ-SECBINFHSA-N. The full InChI is InChI=1S/C10H14N2O/c1-3-4-9(11)8-5-6-10(13-2)12-7-8/h3,5-7,9H,1,4,11H2,2H3/t9-/m1/s1.
What are the key properties of (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine?
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine has a molecular weight of 178.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine is sourced from PubChem (CID 171203601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).