1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine

C11H17N3O — CID 114937199

IUPAC1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)c1ccc(OC)nc1
InChIInChI=1S/C11H17N3O/c1-3-6-13-10(7-12)9-4-5-11(15-2)14-8-9/h3-5,8,10,13H,1,6-7,12H2,2H3
InChIKeyKENIXMABPXODAG-UHFFFAOYSA-N
MW207.28 g/mol
LogP0.87
Rot. Bonds6

About 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine

1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine (PubChem CID 114937199) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine.

Molecular Properties

Compound Name1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine
PubChem CID114937199
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine
SMILESC=CCNC(CN)c1ccc(OC)nc1
InChIInChI=1S/C11H17N3O/c1-3-6-13-10(7-12)9-4-5-11(15-2)14-8-9/h3-5,8,10,13H,1,6-7,12H2,2H3
InChIKeyKENIXMABPXODAG-UHFFFAOYSA-N
XLogP0.87
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937202
(1R)-1-(6-methoxy-3-pyridinyl)but-3-en-1-amine
CID 171203601
N-(3-fluorophenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937210
N-(2-bromo-5-methylphenyl)-1-(6-methoxy-3-pyridinyl)ethane-1,2-diamine
CID 114937262
2-(6-methoxy-3-pyridinyl)-2-(propylamino)ethanol
CID 114938137
(1R)-1-(6-methoxy-3-pyridinyl)propane-1,3-diamine;hydrochloride
CID 171203594
4-amino-3-(6-methoxy-3-pyridinyl)butan-1-ol
CID 114938817
1-(3,4-dimethoxyphenyl)-N-prop-2-enylpropan-1-amine
CID 43200540
1-(3-methylphenyl)-N-prop-2-enylethane-1,2-diamine
CID 65382812
3-(6-methoxy-3-pyridinyl)-3-(propylamino)propanamide
CID 114938790
1-(6-methoxy-3-pyridinyl)-N,N-bis(2-methylpropyl)ethane-1,2-diamine
CID 114937039
5-amino-4-(6-methoxy-3-pyridinyl)pentan-2-ol
CID 114939064

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine?
The IUPAC name of 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine (CID 114937199) is 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine.
What is the SMILES notation for 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine?
The canonical SMILES for 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine is C=CCNC(CN)c1ccc(OC)nc1.
What is the InChIKey of 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine?
The InChIKey is KENIXMABPXODAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-6-13-10(7-12)9-4-5-11(15-2)14-8-9/h3-5,8,10,13H,1,6-7,12H2,2H3.
What are the key properties of 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine?
1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine has a molecular weight of 207.28 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxy-3-pyridinyl)-N-prop-2-enylethane-1,2-diamine is sourced from PubChem (CID 114937199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).