(Z)-N,4-dimethylpent-2-enimidoyl cyanide

C8H12N2 — CID 153394657

IUPAC(Z)-N,4-dimethylpent-2-enimidoyl cyanide
SMILESC/N=C(C#N)/C=C\C(C)C
InChIInChI=1S/C8H12N2/c1-7(2)4-5-8(6-9)10-3/h4-5,7H,1-3H3/b5-4-,10-8-
InChIKeyQAKVKMGEOYVIHX-BXPWTJTASA-N
MW136.20 g/mol
LogP1.79
Rot. Bonds2

About (Z)-N,4-dimethylpent-2-enimidoyl cyanide

(Z)-N,4-dimethylpent-2-enimidoyl cyanide (PubChem CID 153394657) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (Z)-N,4-dimethylpent-2-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-N,4-dimethylpent-2-enimidoyl cyanide
PubChem CID153394657
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(Z)-N,4-dimethylpent-2-enimidoyl cyanide
SMILESC/N=C(C#N)/C=C\C(C)C
InChIInChI=1S/C8H12N2/c1-7(2)4-5-8(6-9)10-3/h4-5,7H,1-3H3/b5-4-,10-8-
InChIKeyQAKVKMGEOYVIHX-BXPWTJTASA-N
XLogP1.79
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Ethylimino-4-methyl-pent-3-enenitrile
CID 572298
4-Methyliminopent-2-enedinitrile
CID 5368434
5,6-Dimethyl-2,3-dihydropyridine-3-carbonitrile
CID 69510804
(Z)-N-ethyl-5-methylhex-3-en-2-imine
CID 90713903
(Z)-N,5-dimethylhex-3-en-2-imine
CID 91209243
N-ethylbut-2-enimidoyl cyanide
CID 91608759
(E)-2-ethenyl-4-methyliminopent-2-enenitrile
CID 117783478
(Z)-2-methylidene-5-methyliminohex-3-enenitrile
CID 117783479
5-Methylhex-3-en-2-ylidene(methylidene)azanium
CID 123144784
N-(2-methylpropyl)but-2-enimidoyl cyanide
CID 123165582
2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile
CID 123206281
N-methylpenta-2,4-dienimidoyl cyanide
CID 123260837

Frequently Asked Questions

What is the IUPAC name of (Z)-N,4-dimethylpent-2-enimidoyl cyanide?
The IUPAC name of (Z)-N,4-dimethylpent-2-enimidoyl cyanide (CID 153394657) is (Z)-N,4-dimethylpent-2-enimidoyl cyanide.
What is the SMILES notation for (Z)-N,4-dimethylpent-2-enimidoyl cyanide?
The canonical SMILES for (Z)-N,4-dimethylpent-2-enimidoyl cyanide is C/N=C(C#N)/C=C\C(C)C.
What is the InChIKey of (Z)-N,4-dimethylpent-2-enimidoyl cyanide?
The InChIKey is QAKVKMGEOYVIHX-BXPWTJTASA-N. The full InChI is InChI=1S/C8H12N2/c1-7(2)4-5-8(6-9)10-3/h4-5,7H,1-3H3/b5-4-,10-8-.
What are the key properties of (Z)-N,4-dimethylpent-2-enimidoyl cyanide?
(Z)-N,4-dimethylpent-2-enimidoyl cyanide has a molecular weight of 136.20 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,4-dimethylpent-2-enimidoyl cyanide is sourced from PubChem (CID 153394657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).