1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide

C15H31N3O — CID 64755549

IUPAC1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCC(C)C1C
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)11-10-17-15(14(16)19)9-7-8-12(3)13(15)4/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyNFOJYYQEOHNXHR-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.60
Rot. Bonds7

About 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide

1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide (PubChem CID 64755549) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide
PubChem CID64755549
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide
SMILESCCN(CC)CCNC1(C(N)=O)CCCC(C)C1C
InChIInChI=1S/C15H31N3O/c1-5-18(6-2)11-10-17-15(14(16)19)9-7-8-12(3)13(15)4/h12-13,17H,5-11H2,1-4H3,(H2,16,19)
InChIKeyNFOJYYQEOHNXHR-UHFFFAOYSA-N
XLogP1.60
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-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 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide?
The IUPAC name of 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide (CID 64755549) is 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide.
What is the SMILES notation for 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide?
The canonical SMILES for 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide is CCN(CC)CCNC1(C(N)=O)CCCC(C)C1C.
What is the InChIKey of 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide?
The InChIKey is NFOJYYQEOHNXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-5-18(6-2)11-10-17-15(14(16)19)9-7-8-12(3)13(15)4/h12-13,17H,5-11H2,1-4H3,(H2,16,19).
What are the key properties of 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide?
1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide has a molecular weight of 269.43 g/mol, XLogP of 1.60, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethylamino]-2,3-dimethylcyclohexane-1-carboxamide is sourced from PubChem (CID 64755549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).