2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide

C11H18N2O — CID 67553371

IUPAC2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC1=CCCC(C)=C1NC(=O)C(C)N
InChIInChI=1S/C11H18N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h5,9H,4,6,12H2,1-3H3,(H,13,14)
InChIKeyAWLXRSYBUHSQCK-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.46
Rot. Bonds2

About 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide

2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide (PubChem CID 67553371) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide.

Molecular Properties

Compound Name2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide
PubChem CID67553371
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCC1=CCCC(C)=C1NC(=O)C(C)N
InChIInChI=1S/C11H18N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h5,9H,4,6,12H2,1-3H3,(H,13,14)
InChIKeyAWLXRSYBUHSQCK-UHFFFAOYSA-N
XLogP1.46
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
The IUPAC name of 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide (CID 67553371) is 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide.
What is the SMILES notation for 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
The canonical SMILES for 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide is CC1=CCCC(C)=C1NC(=O)C(C)N.
What is the InChIKey of 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
The InChIKey is AWLXRSYBUHSQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-7-5-4-6-8(2)10(7)13-11(14)9(3)12/h5,9H,4,6,12H2,1-3H3,(H,13,14).
What are the key properties of 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide?
2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide has a molecular weight of 194.28 g/mol, XLogP of 1.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,6-dimethylcyclohexa-1,5-dien-1-yl)propanamide is sourced from PubChem (CID 67553371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).