(Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile

C10H14N2 — CID 142300378

IUPAC(Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile
SMILESC=C/C=C(C#N)\C(N)=C(/C)CC
InChIInChI=1S/C10H14N2/c1-4-6-9(7-11)10(12)8(3)5-2/h4,6H,1,5,12H2,2-3H3/b9-6-,10-8-
InChIKeyILSRHUUBWCBXGF-PTKGMRGESA-N
MW162.24 g/mol
LogP2.27
Rot. Bonds3

About (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile

(Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile (PubChem CID 142300378) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile.

Molecular Properties

Compound Name(Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile
PubChem CID142300378
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name(Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile
SMILESC=C/C=C(C#N)\C(N)=C(/C)CC
InChIInChI=1S/C10H14N2/c1-4-6-9(7-11)10(12)8(3)5-2/h4,6H,1,5,12H2,2-3H3/b9-6-,10-8-
InChIKeyILSRHUUBWCBXGF-PTKGMRGESA-N
XLogP2.27
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E,2Z)-2-(1-aminoethylidene)-4-fluorohex-3-enenitrile
CID 89148270
(3E,5E)-5-amino-3-fluoro-4-methylocta-3,5,7-trienenitrile
CID 118656976
(3E,5E)-3-amino-5-fluoro-2-methylidenehepta-3,5-dienenitrile
CID 129170407
(3E,5Z)-3-amino-7-fluoro-2-methylideneocta-3,5-dienenitrile
CID 143332835
2-Amino-6-fluoro-7-methylcyclohepta-1,4,6-triene-1-carbonitrile
CID 144192307
(3Z,5E)-5-amino-7-fluoro-2-methylidenehepta-3,5-dienenitrile
CID 146642451
(3E,5Z)-5-amino-4-fluoro-6-iodo-2-methylidenehepta-3,5-dienenitrile
CID 163707141
(2Z,3Z)-5-amino-2-(3-fluoro-3-methylbutan-2-ylidene)hexa-3,5-dienenitrile
CID 166664510
(Z)-2-[(1E)-2-amino-3-fluorobuta-1,3-dienyl]-3-methylbut-2-enedinitrile
CID 167171480
(3Z,5Z)-6-amino-7,7-difluoro-2-methylideneocta-3,5-dienenitrile
CID 167231755
2-(2,3-Diamino-4-methylidenecyclohexa-2,5-dien-1-ylidene)propanedinitrile
CID 91541155
Dicyanmethylen-aminoindene
CID 129629934

Frequently Asked Questions

What is the IUPAC name of (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile?
The IUPAC name of (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile (CID 142300378) is (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile.
What is the SMILES notation for (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile?
The canonical SMILES for (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile is C=C/C=C(C#N)\C(N)=C(/C)CC.
What is the InChIKey of (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile?
The InChIKey is ILSRHUUBWCBXGF-PTKGMRGESA-N. The full InChI is InChI=1S/C10H14N2/c1-4-6-9(7-11)10(12)8(3)5-2/h4,6H,1,5,12H2,2-3H3/b9-6-,10-8-.
What are the key properties of (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile?
(Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile has a molecular weight of 162.24 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2E)-3-amino-4-methyl-2-prop-2-enylidenehex-3-enenitrile is sourced from PubChem (CID 142300378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).