2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile

C10H16N2 — CID 123206281

IUPAC2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile
SMILESC/C=C\C(CC)=N\C(C)(C)C#N
InChIInChI=1S/C10H16N2/c1-5-7-9(6-2)12-10(3,4)8-11/h5,7H,6H2,1-4H3/b7-5-,12-9+
InChIKeyHZVHSYYYZMQWNB-MHBAEANFSA-N
MW164.25 g/mol
LogP2.72
Rot. Bonds3

About 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile

2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile (PubChem CID 123206281) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile
PubChem CID123206281
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile
SMILESC/C=C\C(CC)=N\C(C)(C)C#N
InChIInChI=1S/C10H16N2/c1-5-7-9(6-2)12-10(3,4)8-11/h5,7H,6H2,1-4H3/b7-5-,12-9+
InChIKeyHZVHSYYYZMQWNB-MHBAEANFSA-N
XLogP2.72
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.72
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

1-N,2-N-ditert-butylcyclohexa-3,5-diene-1,2-diimine
CID 90087170
1-[[(Z)-hex-4-en-3-ylidene]amino]cyclobutane-1-carbonitrile
CID 123437398
(Z)-2-methylidene-3-methyliminohex-4-enenitrile
CID 123452029
5-Methyl-3-methylimino-2-propan-2-ylidenehex-4-enenitrile
CID 123764276
(E)-N-tert-butylpent-3-en-2-imine
CID 101023257
(E)-N-tert-butylhex-3-en-2-imine
CID 101023259
(Z)-N,4-dimethylpent-2-enimidoyl cyanide
CID 153394657

Frequently Asked Questions

What is the IUPAC name of 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile?
The IUPAC name of 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile (CID 123206281) is 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile.
What is the SMILES notation for 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile?
The canonical SMILES for 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile is C/C=C\C(CC)=N\C(C)(C)C#N.
What is the InChIKey of 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile?
The InChIKey is HZVHSYYYZMQWNB-MHBAEANFSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-7-9(6-2)12-10(3,4)8-11/h5,7H,6H2,1-4H3/b7-5-,12-9+.
What are the key properties of 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile?
2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile has a molecular weight of 164.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(Z)-hex-4-en-3-ylidene]amino]-2-methylpropanenitrile is sourced from PubChem (CID 123206281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).