N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide

C11H16N2O — CID 123298040

IUPACN-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1=CC=CC(C)(N)C=C1
InChIInChI=1S/C11H16N2O/c1-9(14)13(3)10-5-4-7-11(2,12)8-6-10/h4-8H,12H2,1-3H3
InChIKeyIRHAGKQNXHHSOX-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.19
Rot. Bonds1

About N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide

N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide (PubChem CID 123298040) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide
PubChem CID123298040
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC NameN-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide
SMILESCC(=O)N(C)C1=CC=CC(C)(N)C=C1
InChIInChI=1S/C11H16N2O/c1-9(14)13(3)10-5-4-7-11(2,12)8-6-10/h4-8H,12H2,1-3H3
InChIKeyIRHAGKQNXHHSOX-UHFFFAOYSA-N
XLogP1.19
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide?
The IUPAC name of N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide (CID 123298040) is N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide.
What is the SMILES notation for N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide?
The canonical SMILES for N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide is CC(=O)N(C)C1=CC=CC(C)(N)C=C1.
What is the InChIKey of N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide?
The InChIKey is IRHAGKQNXHHSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-9(14)13(3)10-5-4-7-11(2,12)8-6-10/h4-8H,12H2,1-3H3.
What are the key properties of N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide?
N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide has a molecular weight of 192.26 g/mol, XLogP of 1.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-5-methylcyclohepta-1,3,6-trien-1-yl)-N-methylacetamide is sourced from PubChem (CID 123298040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).