5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile

C10H16N2 — CID 91279567

IUPAC5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile
SMILESCC=C(C#N)C(C)=CC(C)(C)N
InChIInChI=1S/C10H16N2/c1-5-9(7-11)8(2)6-10(3,4)12/h5-6H,12H2,1-4H3
InChIKeyRNGXCZIMFHBJJM-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.14
Rot. Bonds2

About 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile

5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile (PubChem CID 91279567) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile.

Molecular Properties

Compound Name5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile
PubChem CID91279567
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile
SMILESCC=C(C#N)C(C)=CC(C)(C)N
InChIInChI=1S/C10H16N2/c1-5-9(7-11)8(2)6-10(3,4)12/h5-6H,12H2,1-4H3
InChIKeyRNGXCZIMFHBJJM-UHFFFAOYSA-N
XLogP2.14
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.14
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 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile?
The IUPAC name of 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile (CID 91279567) is 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile.
What is the SMILES notation for 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile?
The canonical SMILES for 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile is CC=C(C#N)C(C)=CC(C)(C)N.
What is the InChIKey of 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile?
The InChIKey is RNGXCZIMFHBJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-5-9(7-11)8(2)6-10(3,4)12/h5-6H,12H2,1-4H3.
What are the key properties of 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile?
5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile has a molecular weight of 164.25 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-ethylidene-3,5-dimethylhex-3-enenitrile is sourced from PubChem (CID 91279567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).