4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

C10H16N2O — CID 89073851

IUPAC4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)NC(=O)C1=CCC(N)C=C1
InChIInChI=1S/C10H16N2O/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-5,7,9H,6,11H2,1-2H3,(H,12,13)
InChIKeyHDLOVKCCUVMTNH-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.72
Rot. Bonds2

About 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide

4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (PubChem CID 89073851) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
PubChem CID89073851
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide
SMILESCC(C)NC(=O)C1=CCC(N)C=C1
InChIInChI=1S/C10H16N2O/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-5,7,9H,6,11H2,1-2H3,(H,12,13)
InChIKeyHDLOVKCCUVMTNH-UHFFFAOYSA-N
XLogP0.72
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 ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide (CID 89073851) is 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is CC(C)NC(=O)C1=CCC(N)C=C1.
What is the InChIKey of 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
The InChIKey is HDLOVKCCUVMTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)12-10(13)8-3-5-9(11)6-4-8/h3-5,7,9H,6,11H2,1-2H3,(H,12,13).
What are the key properties of 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide?
4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide has a molecular weight of 180.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-propan-2-ylcyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 89073851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).