(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile

C9H14N2 — CID 134379235

IUPAC(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile
SMILESC/N=C/C=C(/C)CC(C)C#N
InChIInChI=1S/C9H14N2/c1-8(4-5-11-3)6-9(2)7-10/h4-5,9H,6H2,1-3H3/b8-4-,11-5+
InChIKeyQMULBBFMHQWQDF-KCNOGUNESA-N
MW150.22 g/mol
LogP2.18
Rot. Bonds3

About (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile

(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile (PubChem CID 134379235) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile.

Molecular Properties

Compound Name(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile
PubChem CID134379235
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile
SMILESC/N=C/C=C(/C)CC(C)C#N
InChIInChI=1S/C9H14N2/c1-8(4-5-11-3)6-9(2)7-10/h4-5,9H,6H2,1-3H3/b8-4-,11-5+
InChIKeyQMULBBFMHQWQDF-KCNOGUNESA-N
XLogP2.18
TPSA36.15 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile?
The IUPAC name of (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile (CID 134379235) is (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile.
What is the SMILES notation for (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile?
The canonical SMILES for (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile is C/N=C/C=C(/C)CC(C)C#N.
What is the InChIKey of (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile?
The InChIKey is QMULBBFMHQWQDF-KCNOGUNESA-N. The full InChI is InChI=1S/C9H14N2/c1-8(4-5-11-3)6-9(2)7-10/h4-5,9H,6H2,1-3H3/b8-4-,11-5+.
What are the key properties of (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile?
(Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile has a molecular weight of 150.22 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,4-dimethyl-6-methyliminohex-4-enenitrile is sourced from PubChem (CID 134379235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).