(2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile

C8H12N2 — CID 130242971

IUPAC(2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile
SMILESCC(C)(N)/C=C\C=C\C#N
InChIInChI=1S/C8H12N2/c1-8(2,10)6-4-3-5-7-9/h3-6H,10H2,1-2H3/b5-3+,6-4-
InChIKeyIXARRVHSTWSXHF-UZNMPDEFSA-N
MW136.20 g/mol
LogP1.36
Rot. Bonds2

About (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile

(2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile (PubChem CID 130242971) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile
PubChem CID130242971
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile
SMILESCC(C)(N)/C=C\C=C\C#N
InChIInChI=1S/C8H12N2/c1-8(2,10)6-4-3-5-7-9/h3-6H,10H2,1-2H3/b5-3+,6-4-
InChIKeyIXARRVHSTWSXHF-UZNMPDEFSA-N
XLogP1.36
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.36
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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Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile?
The IUPAC name of (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile (CID 130242971) is (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile.
What is the SMILES notation for (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile?
The canonical SMILES for (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile is CC(C)(N)/C=C\C=C\C#N.
What is the InChIKey of (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile?
The InChIKey is IXARRVHSTWSXHF-UZNMPDEFSA-N. The full InChI is InChI=1S/C8H12N2/c1-8(2,10)6-4-3-5-7-9/h3-6H,10H2,1-2H3/b5-3+,6-4-.
What are the key properties of (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile?
(2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile has a molecular weight of 136.20 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-6-amino-6-methylhepta-2,4-dienenitrile is sourced from PubChem (CID 130242971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).