3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine

C10H17N3 — CID 178139205

IUPAC3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine
SMILESCNC1=C(/C=C/CN)CN(C)C=C1
InChIInChI=1S/C10H17N3/c1-12-10-5-7-13(2)8-9(10)4-3-6-11/h3-5,7,12H,6,8,11H2,1-2H3/b4-3+
InChIKeyFMOHKLMNVULVSB-ONEGZZNKSA-N
MW179.27 g/mol
LogP0.43
Rot. Bonds3

About 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine

3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine (PubChem CID 178139205) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine.

Molecular Properties

Compound Name3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine
PubChem CID178139205
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine
SMILESCNC1=C(/C=C/CN)CN(C)C=C1
InChIInChI=1S/C10H17N3/c1-12-10-5-7-13(2)8-9(10)4-3-6-11/h3-5,7,12H,6,8,11H2,1-2H3/b4-3+
InChIKeyFMOHKLMNVULVSB-ONEGZZNKSA-N
XLogP0.43
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-2-vinylpyridine
CID 20131521
2-Amino-4-methylpicoline
CID 21505664
2,3-Dimethyl-1,4-Azepin
CID 21560535
Cyclohepta[1,2-b]pyridine
CID 22270306
2-fluoro-2,3-dimethyl-1H-pyridine
CID 22615259
3-[1-(1-chloroethenyl)-5-fluoro-2-pyridinylidene]-N-methylpentan-1-amine
CID 123509006
(1E,3E,5E)-8-N-[(2E)-2-ethenyl-4-fluoropenta-2,4-dienyl]-1-N,2,3,6-tetramethylnona-1,3,5,8-tetraene-1,8-diamine
CID 137465227
(4Z)-6-N-ethenyl-2-N-[(2E,4E)-5-fluoro-2-[(E)-prop-1-enyl]hexa-2,4-dienyl]hepta-1,4-diene-2,6-diamine
CID 138528342
(1E,3E,5E)-3-N-[(2E,4E)-3,4-difluorohepta-2,4,6-trienyl]-1-N-methyl-6-(1,2,3,6-tetrahydropyridin-5-yl)hepta-1,3,5-triene-1,3-diamine
CID 138711347
5-[(Z)-3-aminoprop-1-enyl]-1-(2-fluoroethyl)-N-methyl-3,6-dihydro-2H-pyridin-4-amine
CID 145195918
(3E,5Z,7E)-6-fluoro-3-methyl-2-N-propan-2-yldeca-1,3,5,7-tetraene-2,5-diamine
CID 153577901
(1Z,3E)-4-N-[(5-fluorocyclohepta-1,4,6-trien-1-yl)methyl]-1-N,2-dimethylhexa-1,3-diene-1,4-diamine
CID 154979166

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine?
The IUPAC name of 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine (CID 178139205) is 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine.
What is the SMILES notation for 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine?
The canonical SMILES for 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine is CNC1=C(/C=C/CN)CN(C)C=C1.
What is the InChIKey of 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine?
The InChIKey is FMOHKLMNVULVSB-ONEGZZNKSA-N. The full InChI is InChI=1S/C10H17N3/c1-12-10-5-7-13(2)8-9(10)4-3-6-11/h3-5,7,12H,6,8,11H2,1-2H3/b4-3+.
What are the key properties of 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine?
3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine has a molecular weight of 179.27 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-aminoprop-1-enyl]-N,1-dimethyl-2H-pyridin-4-amine is sourced from PubChem (CID 178139205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).