N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide

C13H19NO — CID 172601754

IUPACN,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCC1C=CC=C(C(=O)N(C)C(C)C)C=C1
InChIInChI=1S/C13H19NO/c1-10(2)14(4)13(15)12-7-5-6-11(3)8-9-12/h5-11H,1-4H3
InChIKeyXKKPNHXNSKQWSH-UHFFFAOYSA-N
MW205.30 g/mol
LogP2.54
Rot. Bonds2

About N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide

N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide (PubChem CID 172601754) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide
PubChem CID172601754
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC NameN,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide
SMILESCC1C=CC=C(C(=O)N(C)C(C)C)C=C1
InChIInChI=1S/C13H19NO/c1-10(2)14(4)13(15)12-7-5-6-11(3)8-9-12/h5-11H,1-4H3
InChIKeyXKKPNHXNSKQWSH-UHFFFAOYSA-N
XLogP2.54
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-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,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide?
The IUPAC name of N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide (CID 172601754) is N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide.
What is the SMILES notation for N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide?
The canonical SMILES for N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide is CC1C=CC=C(C(=O)N(C)C(C)C)C=C1.
What is the InChIKey of N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide?
The InChIKey is XKKPNHXNSKQWSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO/c1-10(2)14(4)13(15)12-7-5-6-11(3)8-9-12/h5-11H,1-4H3.
What are the key properties of N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide?
N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide has a molecular weight of 205.30 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-N-propan-2-ylcyclohepta-1,3,6-triene-1-carboxamide is sourced from PubChem (CID 172601754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).