(Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile

C11H16N2 — CID 5373740

IUPAC(Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile
SMILESCC(C)=C/C=N/C(C#N)=C\C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h5-7,10H,1-4H3/b11-7-,13-6+
InChIKeyCTNXTFVHHWWFRB-SKBPJIERSA-N
MW176.26 g/mol
LogP3.09
Rot. Bonds3

About (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile

(Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile (PubChem CID 5373740) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile.

Molecular Properties

Compound Name(Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile
PubChem CID5373740
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile
SMILESCC(C)=C/C=N/C(C#N)=C\C(C)C
InChIInChI=1S/C11H16N2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h5-7,10H,1-4H3/b11-7-,13-6+
InChIKeyCTNXTFVHHWWFRB-SKBPJIERSA-N
XLogP3.09
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

2-(2-Fluorobut-2-enylideneamino)-3-methylpent-2-enenitrile
CID 123765219
2-[[(Z)-4-methylpent-2-enylidene]amino]prop-2-enenitrile
CID 89070575
(Z)-1-ethylimino-4-methylpent-2-en-3-amine
CID 89174968
5-propan-2-yl-2H-1,4-diazepine
CID 91005405
2-methyl-N-(4-methylpent-2-en-3-yl)prop-2-en-1-imine
CID 91277402
3-methyl-2-methylidene-N-(4-methylpent-2-en-3-yl)butan-1-imine
CID 91454120
3,4-Dimethylpent-2-enylidene-methyl-(4-methyliminobut-2-en-2-yl)azanium
CID 91465705
3-methyl-2-methylidene-N-pent-2-en-2-ylbutan-1-imine
CID 123529950
7-Ethyl-4,5-dihydroazocine-2-carbonitrile
CID 123680264
(Z)-2-ethyl-N-[(2Z)-6-(methylideneamino)hepta-2,5-dien-2-yl]but-2-en-1-imine
CID 123852907
2-[[(Z)-hex-2-enylidene]amino]prop-2-enenitrile
CID 124036726
4-methyl-4H-azepine-2-carbonitrile
CID 126663352

Frequently Asked Questions

What is the IUPAC name of (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile?
The IUPAC name of (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile (CID 5373740) is (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile.
What is the SMILES notation for (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile?
The canonical SMILES for (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile is CC(C)=C/C=N/C(C#N)=C\C(C)C.
What is the InChIKey of (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile?
The InChIKey is CTNXTFVHHWWFRB-SKBPJIERSA-N. The full InChI is InChI=1S/C11H16N2/c1-9(2)5-6-13-11(8-12)7-10(3)4/h5-7,10H,1-4H3/b11-7-,13-6+.
What are the key properties of (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile?
(Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile has a molecular weight of 176.26 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-methyl-2-(3-methylbut-2-enylideneamino)pent-2-enenitrile is sourced from PubChem (CID 5373740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).