(Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile

C9H15N3 — CID 157047404

IUPAC(Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile
SMILESCCC(C)(C)/N=C/C=C(\N)C#N
InChIInChI=1S/C9H15N3/c1-4-9(2,3)12-6-5-8(11)7-10/h5-6H,4,11H2,1-3H3/b8-5-,12-6+
InChIKeyBACGSYNBPDHROD-JFZKZVACSA-N
MW165.24 g/mol
LogP1.61
Rot. Bonds3

About (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile

(Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile (PubChem CID 157047404) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile
PubChem CID157047404
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name(Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile
SMILESCCC(C)(C)/N=C/C=C(\N)C#N
InChIInChI=1S/C9H15N3/c1-4-9(2,3)12-6-5-8(11)7-10/h5-6H,4,11H2,1-3H3/b8-5-,12-6+
InChIKeyBACGSYNBPDHROD-JFZKZVACSA-N
XLogP1.61
TPSA62.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(Z)-2-aminopent-2-enenitrile
CID 21160287
2-cyano-2-ethylbutanamide
CID 29227
2-isothiocyanato-2-methylbutane
CID 11105389
2-amino-4-methylpent-2-enenitrile
CID 565432
ethyl 2-[[(E)-3-amino-3-nitroprop-2-enylidene]amino]-2-methylpropanoate
CID 166571967
N'-(2,4,4-trimethylhexan-2-yl)ethanimidamide
CID 123971505
2-chlorobutan-2-yl N-(oxomethylidene)carbamate
CID 71444585
(Z)-2-cyano-N'-methylbut-2-enimidamide
CID 144543745
2-(1-amino-2,2-dimethylpropylidene)propanedinitrile
CID 10236016
(E)-5-methyliminohex-3-en-3-amine
CID 171096126
2-ethyl-2-methyl-3-oxobutanenitrile
CID 65393177
3-tert-butylimino-1-cyclopropylprop-1-en-1-amine
CID 73110243

Frequently Asked Questions

What is the IUPAC name of (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile?
The IUPAC name of (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile (CID 157047404) is (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile.
What is the SMILES notation for (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile?
The canonical SMILES for (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile is CCC(C)(C)/N=C/C=C(\N)C#N.
What is the InChIKey of (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile?
The InChIKey is BACGSYNBPDHROD-JFZKZVACSA-N. The full InChI is InChI=1S/C9H15N3/c1-4-9(2,3)12-6-5-8(11)7-10/h5-6H,4,11H2,1-3H3/b8-5-,12-6+.
What are the key properties of (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile?
(Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile has a molecular weight of 165.24 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-amino-4-(2-methylbutan-2-ylimino)but-2-enenitrile is sourced from PubChem (CID 157047404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).