(2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile

C10H17N3 — CID 134987813

IUPAC(2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile
SMILESC/C(C=C(N(C)C)N(C)C)=C\C#N
InChIInChI=1S/C10H17N3/c1-9(6-7-11)8-10(12(2)3)13(4)5/h6,8H,1-5H3/b9-6+
InChIKeyZTMKWRRYHMXHJI-RMKNXTFCSA-N
MW179.27 g/mol
LogP1.42
Rot. Bonds3

About (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile

(2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile (PubChem CID 134987813) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile
PubChem CID134987813
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name(2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile
SMILESC/C(C=C(N(C)C)N(C)C)=C\C#N
InChIInChI=1S/C10H17N3/c1-9(6-7-11)8-10(12(2)3)13(4)5/h6,8H,1-5H3/b9-6+
InChIKeyZTMKWRRYHMXHJI-RMKNXTFCSA-N
XLogP1.42
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile?
The IUPAC name of (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile (CID 134987813) is (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile.
What is the SMILES notation for (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile?
The canonical SMILES for (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile is C/C(C=C(N(C)C)N(C)C)=C\C#N.
What is the InChIKey of (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile?
The InChIKey is ZTMKWRRYHMXHJI-RMKNXTFCSA-N. The full InChI is InChI=1S/C10H17N3/c1-9(6-7-11)8-10(12(2)3)13(4)5/h6,8H,1-5H3/b9-6+.
What are the key properties of (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile?
(2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile has a molecular weight of 179.27 g/mol, XLogP of 1.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-5,5-bis(dimethylamino)-3-methylpenta-2,4-dienenitrile is sourced from PubChem (CID 134987813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).