N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide

C14H21NO — CID 123661036

IUPACN,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C14H21NO/c1-5-15(6-2)13(16)12-8-7-10-14(3,4)11-9-12/h7-11H,5-6H2,1-4H3
InChIKeyZJWJSFPRDPDVRH-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds3

About N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide

N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 123661036) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide
PubChem CID123661036
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCCN(CC)C(=O)C1=CC=CC(C)(C)C=C1
InChIInChI=1S/C14H21NO/c1-5-15(6-2)13(16)12-8-7-10-14(3,4)11-9-12/h7-11H,5-6H2,1-4H3
InChIKeyZJWJSFPRDPDVRH-UHFFFAOYSA-N
XLogP2.93
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide (CID 123661036) is N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide is CCN(CC)C(=O)C1=CC=CC(C)(C)C=C1.
What is the InChIKey of N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is ZJWJSFPRDPDVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-5-15(6-2)13(16)12-8-7-10-14(3,4)11-9-12/h7-11H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide?
N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 219.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-5,5-dimethylcyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 123661036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).