2-amino-3,3-dimethylhepta-4,5-dienenitrile

C9H14N2 — CID 131115183

IUPAC2-amino-3,3-dimethylhepta-4,5-dienenitrile
SMILESCC=C=CC(C)(C)C(N)C#N
InChIInChI=1S/C9H14N2/c1-4-5-6-9(2,3)8(11)7-10/h4,6,8H,11H2,1-3H3
InChIKeyCJEHNNVVXWSCPY-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.59
Rot. Bonds2

About 2-amino-3,3-dimethylhepta-4,5-dienenitrile

2-amino-3,3-dimethylhepta-4,5-dienenitrile (PubChem CID 131115183) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-amino-3,3-dimethylhepta-4,5-dienenitrile.

Molecular Properties

Compound Name2-amino-3,3-dimethylhepta-4,5-dienenitrile
PubChem CID131115183
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-amino-3,3-dimethylhepta-4,5-dienenitrile
SMILESCC=C=CC(C)(C)C(N)C#N
InChIInChI=1S/C9H14N2/c1-4-5-6-9(2,3)8(11)7-10/h4,6,8H,11H2,1-3H3
InChIKeyCJEHNNVVXWSCPY-UHFFFAOYSA-N
XLogP1.59
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,3-dimethylhepta-4,5-dienenitrile?
The IUPAC name of 2-amino-3,3-dimethylhepta-4,5-dienenitrile (CID 131115183) is 2-amino-3,3-dimethylhepta-4,5-dienenitrile.
What is the SMILES notation for 2-amino-3,3-dimethylhepta-4,5-dienenitrile?
The canonical SMILES for 2-amino-3,3-dimethylhepta-4,5-dienenitrile is CC=C=CC(C)(C)C(N)C#N.
What is the InChIKey of 2-amino-3,3-dimethylhepta-4,5-dienenitrile?
The InChIKey is CJEHNNVVXWSCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-4-5-6-9(2,3)8(11)7-10/h4,6,8H,11H2,1-3H3.
What are the key properties of 2-amino-3,3-dimethylhepta-4,5-dienenitrile?
2-amino-3,3-dimethylhepta-4,5-dienenitrile has a molecular weight of 150.22 g/mol, XLogP of 1.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,3-dimethylhepta-4,5-dienenitrile is sourced from PubChem (CID 131115183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).