2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate

C19H37N3O — CID 67212214

IUPAC2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate
SMILESCCN(CC)CCO/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H37N3O/c1-3-22(4-2)15-16-23-19(20-17-11-7-5-8-12-17)21-18-13-9-6-10-14-18/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyZLOLXMHTUWBQNT-UHFFFAOYSA-N
MW323.53 g/mol
LogP3.96
Rot. Bonds7

About 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate

2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate (PubChem CID 67212214) has the molecular formula C19H37N3O and a molecular weight of 323.53 g/mol. Its IUPAC name is 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate.

Molecular Properties

Compound Name2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate
PubChem CID67212214
Molecular FormulaC19H37N3O
Molecular Weight323.53 g/mol
Exact Mass323.29
IUPAC Name2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate
SMILESCCN(CC)CCO/C(=N\C1CCCCC1)NC1CCCCC1
InChIInChI=1S/C19H37N3O/c1-3-22(4-2)15-16-23-19(20-17-11-7-5-8-12-17)21-18-13-9-6-10-14-18/h17-18H,3-16H2,1-2H3,(H,20,21)
InChIKeyZLOLXMHTUWBQNT-UHFFFAOYSA-N
XLogP3.96
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.53
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate 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-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate?
The IUPAC name of 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate (CID 67212214) is 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate.
What is the SMILES notation for 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate?
The canonical SMILES for 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate is CCN(CC)CCO/C(=N\C1CCCCC1)NC1CCCCC1.
What is the InChIKey of 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate?
The InChIKey is ZLOLXMHTUWBQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3O/c1-3-22(4-2)15-16-23-19(20-17-11-7-5-8-12-17)21-18-13-9-6-10-14-18/h17-18H,3-16H2,1-2H3,(H,20,21).
What are the key properties of 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate?
2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate has a molecular weight of 323.53 g/mol, XLogP of 3.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)ethyl N,N'-dicyclohexylcarbamimidate is sourced from PubChem (CID 67212214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).