4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile

C12H25N3 — CID 64696931

IUPAC4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(CC)CC
InChIInChI=1S/C12H25N3/c1-6-14-12(5,10-13)9-11(4)15(7-2)8-3/h11,14H,6-9H2,1-5H3
InChIKeyLXIKAJVXRBWHKR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.00
Rot. Bonds7

About 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile

4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile (PubChem CID 64696931) has the molecular formula C12H25N3 and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile.

Molecular Properties

Compound Name4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
PubChem CID64696931
Molecular FormulaC12H25N3
Molecular Weight211.35 g/mol
Exact Mass211.20
IUPAC Name4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile
SMILESCCNC(C)(C#N)CC(C)N(CC)CC
InChIInChI=1S/C12H25N3/c1-6-14-12(5,10-13)9-11(4)15(7-2)8-3/h11,14H,6-9H2,1-5H3
InChIKeyLXIKAJVXRBWHKR-UHFFFAOYSA-N
XLogP2.00
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile?
The IUPAC name of 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile (CID 64696931) is 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile.
What is the SMILES notation for 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile?
The canonical SMILES for 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile is CCNC(C)(C#N)CC(C)N(CC)CC.
What is the InChIKey of 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile?
The InChIKey is LXIKAJVXRBWHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3/c1-6-14-12(5,10-13)9-11(4)15(7-2)8-3/h11,14H,6-9H2,1-5H3.
What are the key properties of 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile?
4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile has a molecular weight of 211.35 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(diethylamino)-2-(ethylamino)-2-methylpentanenitrile is sourced from PubChem (CID 64696931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).