3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine

C12H20N4 — CID 176663726

IUPAC3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine
SMILESCC(C)C(/C=N/N(C)C)c1cccnc1N
InChIInChI=1S/C12H20N4/c1-9(2)11(8-15-16(3)4)10-6-5-7-14-12(10)13/h5-9,11H,1-4H3,(H2,13,14)/b15-8+
InChIKeyFPPFVUHIUJXRIT-OVCLIPMQSA-N
MW220.32 g/mol
LogP1.95
Rot. Bonds4

About 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine

3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine (PubChem CID 176663726) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine
PubChem CID176663726
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine
SMILESCC(C)C(/C=N/N(C)C)c1cccnc1N
InChIInChI=1S/C12H20N4/c1-9(2)11(8-15-16(3)4)10-6-5-7-14-12(10)13/h5-9,11H,1-4H3,(H2,13,14)/b15-8+
InChIKeyFPPFVUHIUJXRIT-OVCLIPMQSA-N
XLogP1.95
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(1E,2R)-1-methoxyimino-3-methylbutan-2-yl]pyridin-2-amine
CID 176664499
3-[(3S)-2-methylpentan-3-yl]pyridin-2-amine
CID 176663633
3-[1-[ethenyl(methyl)amino]ethyl]pyridin-2-amine
CID 176568611
(1S,2S)-1-(2-amino-3-pyridinyl)propane-1,2-diamine
CID 131122997
1-(2-amino-3-pyridinyl)-N',N'-dimethylethane-1,2-diamine
CID 79093187
(1R)-1-amino-1-(2-amino-3-pyridinyl)propan-2-ol
CID 130961552
1-(2-amino-3-pyridinyl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 79052994
3-[2-(aminomethyl)-1-fluoro-3-methylbutyl]pyridin-2-amine
CID 107443651
3-[1-[3,3-dimethylbutyl(methyl)amino]ethyl]pyridin-2-amine
CID 143596032
3-[(1R)-1-amino-4-methylpentyl]pyridin-2-amine
CID 171211340
(2-amino-3-pyridinyl)-[1-(dimethylamino)cyclohexyl]methanol
CID 79066724
3-N-(3,3-dimethylbutan-2-yl)-3-N-methylpyridine-2,3-diamine
CID 104540178

Frequently Asked Questions

What is the IUPAC name of 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine?
The IUPAC name of 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine (CID 176663726) is 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine.
What is the SMILES notation for 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine?
The canonical SMILES for 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine is CC(C)C(/C=N/N(C)C)c1cccnc1N.
What is the InChIKey of 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine?
The InChIKey is FPPFVUHIUJXRIT-OVCLIPMQSA-N. The full InChI is InChI=1S/C12H20N4/c1-9(2)11(8-15-16(3)4)10-6-5-7-14-12(10)13/h5-9,11H,1-4H3,(H2,13,14)/b15-8+.
What are the key properties of 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine?
3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1E)-1-(dimethylhydrazinylidene)-3-methylbutan-2-yl]pyridin-2-amine is sourced from PubChem (CID 176663726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).