N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide

C15H25N3O — CID 142817569

IUPACN-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CCC=C(NC)C=C1
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)12-11-17-15(19)13-7-6-8-14(16-3)10-9-13/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyYTAUDRXUEVDULZ-UHFFFAOYSA-N
MW263.38 g/mol
LogP1.43
Rot. Bonds7

About N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide

N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide (PubChem CID 142817569) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide.

Molecular Properties

Compound NameN-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide
PubChem CID142817569
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC NameN-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide
SMILESCCN(CC)CCNC(=O)C1=CCC=C(NC)C=C1
InChIInChI=1S/C15H25N3O/c1-4-18(5-2)12-11-17-15(19)13-7-6-8-14(16-3)10-9-13/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19)
InChIKeyYTAUDRXUEVDULZ-UHFFFAOYSA-N
XLogP1.43
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide 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 N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide?
The IUPAC name of N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide (CID 142817569) is N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide.
What is the SMILES notation for N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide?
The canonical SMILES for N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide is CCN(CC)CCNC(=O)C1=CCC=C(NC)C=C1.
What is the InChIKey of N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide?
The InChIKey is YTAUDRXUEVDULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-4-18(5-2)12-11-17-15(19)13-7-6-8-14(16-3)10-9-13/h7-10,16H,4-6,11-12H2,1-3H3,(H,17,19).
What are the key properties of N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide?
N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide has a molecular weight of 263.38 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)ethyl]-5-(methylamino)cyclohepta-1,4,6-triene-1-carboxamide is sourced from PubChem (CID 142817569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).