(1S)-6-iminocyclohexa-2,4-dien-1-amine

C6H8N2 — CID 139564114

IUPAC(1S)-6-iminocyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1\C=CC=C[C@@H]1N
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-5,8H,7H2/b8-6+/t5-/m0/s1
InChIKeyIHSVEYZEOCWXFH-GZNKVARCSA-N
MW108.14 g/mol
LogP0.46
Rot. Bonds

About (1S)-6-iminocyclohexa-2,4-dien-1-amine

(1S)-6-iminocyclohexa-2,4-dien-1-amine (PubChem CID 139564114) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is (1S)-6-iminocyclohexa-2,4-dien-1-amine.

Molecular Properties

Compound Name(1S)-6-iminocyclohexa-2,4-dien-1-amine
PubChem CID139564114
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name(1S)-6-iminocyclohexa-2,4-dien-1-amine
SMILES[H]/N=C1\C=CC=C[C@@H]1N
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-5,8H,7H2/b8-6+/t5-/m0/s1
InChIKeyIHSVEYZEOCWXFH-GZNKVARCSA-N
XLogP0.46
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-6-iminocyclohexa-2,4-dien-1-amine?
The IUPAC name of (1S)-6-iminocyclohexa-2,4-dien-1-amine (CID 139564114) is (1S)-6-iminocyclohexa-2,4-dien-1-amine.
What is the SMILES notation for (1S)-6-iminocyclohexa-2,4-dien-1-amine?
The canonical SMILES for (1S)-6-iminocyclohexa-2,4-dien-1-amine is [H]/N=C1\C=CC=C[C@@H]1N.
What is the InChIKey of (1S)-6-iminocyclohexa-2,4-dien-1-amine?
The InChIKey is IHSVEYZEOCWXFH-GZNKVARCSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-5,8H,7H2/b8-6+/t5-/m0/s1.
What are the key properties of (1S)-6-iminocyclohexa-2,4-dien-1-amine?
(1S)-6-iminocyclohexa-2,4-dien-1-amine has a molecular weight of 108.14 g/mol, XLogP of 0.46, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-6-iminocyclohexa-2,4-dien-1-amine is sourced from PubChem (CID 139564114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).