1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol

C12H18N4O — CID 155782772

IUPAC1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)C/N=C/C(N)=C(\N)c1ccccn1
InChIInChI=1S/C12H18N4O/c1-12(2,17)8-15-7-9(13)11(14)10-5-3-4-6-16-10/h3-7,17H,8,13-14H2,1-2H3/b11-9+,15-7+
InChIKeyHKEHXTWBOCOFSH-AHSQCEKMSA-N
MW234.30 g/mol
LogP0.51
Rot. Bonds4

About 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol

1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol (PubChem CID 155782772) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol
PubChem CID155782772
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol
SMILESCC(C)(O)C/N=C/C(N)=C(\N)c1ccccn1
InChIInChI=1S/C12H18N4O/c1-12(2,17)8-15-7-9(13)11(14)10-5-3-4-6-16-10/h3-7,17H,8,13-14H2,1-2H3/b11-9+,15-7+
InChIKeyHKEHXTWBOCOFSH-AHSQCEKMSA-N
XLogP0.51
TPSA97.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol with MolForge

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Related Compounds

N'-(2-hydroxy-2-methylbutyl)pyridine-2-carboximidamide
CID 100962340
(E)-1-pyridin-2-ylprop-1-en-1-amine
CID 55290780
N-[2,2-dimethyl-3-(1-pyridin-2-ylethylideneamino)propyl]-1-pyridin-2-ylethanimine
CID 102087049
ethane;N'-methylpyridine-2-carboximidamide
CID 143309787
3-hydroxy-3-methyl-1-pyridin-2-ylbutan-1-one
CID 175849018
N'-aminopyridine-2-carboximidamide
CID 5464234
(1Z,3Z)-1,4-dipyridin-2-ylbuta-1,3-diene-1,4-diamine
CID 145275038
(E)-1-amino-4,4-dimethyl-1-pyridin-2-ylpent-1-en-3-one
CID 818325
(Z)-3-imino-2-methyl-1-pyridin-2-ylprop-1-en-1-amine
CID 142933408
3,5,5-trimethyl-1-pyridin-2-ylhexan-1-one
CID 24723559
(E)-2-phenyl-1-pyridin-2-ylethenol
CID 23039790
(E)-2-pyridin-2-ylprop-1-en-1-amine
CID 22861961

Frequently Asked Questions

What is the IUPAC name of 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol?
The IUPAC name of 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol (CID 155782772) is 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol is CC(C)(O)C/N=C/C(N)=C(\N)c1ccccn1.
What is the InChIKey of 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol?
The InChIKey is HKEHXTWBOCOFSH-AHSQCEKMSA-N. The full InChI is InChI=1S/C12H18N4O/c1-12(2,17)8-15-7-9(13)11(14)10-5-3-4-6-16-10/h3-7,17H,8,13-14H2,1-2H3/b11-9+,15-7+.
What are the key properties of 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol?
1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol has a molecular weight of 234.30 g/mol, XLogP of 0.51, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-2,3-diamino-3-pyridin-2-ylprop-2-enylidene]amino]-2-methylpropan-2-ol is sourced from PubChem (CID 155782772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).