cyclohexa-2,4-dien-1-amine

C6H9N — CID 15267068

IUPACcyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1
InChIInChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h1-4,6H,5,7H2
InChIKeyDTIYPFOXKXUYLD-UHFFFAOYSA-N
MW95.14 g/mol
LogP0.83
Rot. Bonds

About cyclohexa-2,4-dien-1-amine

cyclohexa-2,4-dien-1-amine (PubChem CID 15267068) has the molecular formula C6H9N and a molecular weight of 95.14 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-amine
PubChem CID15267068
Molecular FormulaC6H9N
Molecular Weight95.14 g/mol
Exact Mass95.07
IUPAC Namecyclohexa-2,4-dien-1-amine
SMILESNC1C=CC=CC1
InChIInChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h1-4,6H,5,7H2
InChIKeyDTIYPFOXKXUYLD-UHFFFAOYSA-N
XLogP0.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-amine?
The IUPAC name of cyclohexa-2,4-dien-1-amine (CID 15267068) is cyclohexa-2,4-dien-1-amine.
What is the SMILES notation for cyclohexa-2,4-dien-1-amine?
The canonical SMILES for cyclohexa-2,4-dien-1-amine is NC1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-amine?
The InChIKey is DTIYPFOXKXUYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N/c7-6-4-2-1-3-5-6/h1-4,6H,5,7H2.
What are the key properties of cyclohexa-2,4-dien-1-amine?
cyclohexa-2,4-dien-1-amine has a molecular weight of 95.14 g/mol, XLogP of 0.83, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 15267068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).