2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide

C10H16N2O — CID 163875393

IUPAC2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC1=CCCC=C1
InChIInChI=1S/C10H16N2O/c1-10(2,11)9(13)12-8-6-4-3-5-7-8/h4,6-7H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyPOKNRZJYSQNYFE-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.07
Rot. Bonds2

About 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide

2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide (PubChem CID 163875393) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide
PubChem CID163875393
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide
SMILESCC(C)(N)C(=O)NC1=CCCC=C1
InChIInChI=1S/C10H16N2O/c1-10(2,11)9(13)12-8-6-4-3-5-7-8/h4,6-7H,3,5,11H2,1-2H3,(H,12,13)
InChIKeyPOKNRZJYSQNYFE-UHFFFAOYSA-N
XLogP1.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide?
The IUPAC name of 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide (CID 163875393) is 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide.
What is the SMILES notation for 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide?
The canonical SMILES for 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide is CC(C)(N)C(=O)NC1=CCCC=C1.
What is the InChIKey of 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide?
The InChIKey is POKNRZJYSQNYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-10(2,11)9(13)12-8-6-4-3-5-7-8/h4,6-7H,3,5,11H2,1-2H3,(H,12,13).
What are the key properties of 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide?
2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide has a molecular weight of 180.25 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclohexa-1,5-dien-1-yl-2-methylpropanamide is sourced from PubChem (CID 163875393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).