2-[4-(dipropylamino)cyclohexylidene]propanedinitrile

C15H23N3 — CID 10705550

IUPAC2-[4-(dipropylamino)cyclohexylidene]propanedinitrile
SMILESCCCN(CCC)C1CCC(=C(C#N)C#N)CC1
InChIInChI=1S/C15H23N3/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)14(11-16)12-17/h15H,3-10H2,1-2H3
InChIKeyFGVSZVRUGNMGKP-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.39
Rot. Bonds5

About 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile

2-[4-(dipropylamino)cyclohexylidene]propanedinitrile (PubChem CID 10705550) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile.

Molecular Properties

Compound Name2-[4-(dipropylamino)cyclohexylidene]propanedinitrile
PubChem CID10705550
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name2-[4-(dipropylamino)cyclohexylidene]propanedinitrile
SMILESCCCN(CCC)C1CCC(=C(C#N)C#N)CC1
InChIInChI=1S/C15H23N3/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)14(11-16)12-17/h15H,3-10H2,1-2H3
InChIKeyFGVSZVRUGNMGKP-UHFFFAOYSA-N
XLogP3.39
TPSA50.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

Analyze 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile 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 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile?
The IUPAC name of 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile (CID 10705550) is 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile.
What is the SMILES notation for 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile?
The canonical SMILES for 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile is CCCN(CCC)C1CCC(=C(C#N)C#N)CC1.
What is the InChIKey of 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile?
The InChIKey is FGVSZVRUGNMGKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-3-9-18(10-4-2)15-7-5-13(6-8-15)14(11-16)12-17/h15H,3-10H2,1-2H3.
What are the key properties of 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile?
2-[4-(dipropylamino)cyclohexylidene]propanedinitrile has a molecular weight of 245.37 g/mol, XLogP of 3.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dipropylamino)cyclohexylidene]propanedinitrile is sourced from PubChem (CID 10705550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).