(1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine

C8H12N2 — CID 89153933

IUPAC(1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine
SMILES[H]/N=C/[C@H](N)C1C=CC=CC1
InChIInChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,6-9H,5,10H2/b9-6+/t7?,8-/m0/s1
InChIKeyGUSWQHZNHQQRDH-MNGWHVNVSA-N
MW136.20 g/mol
LogP1.10
Rot. Bonds2

About (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine

(1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine (PubChem CID 89153933) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine.

Molecular Properties

Compound Name(1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine
PubChem CID89153933
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine
SMILES[H]/N=C/[C@H](N)C1C=CC=CC1
InChIInChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,6-9H,5,10H2/b9-6+/t7?,8-/m0/s1
InChIKeyGUSWQHZNHQQRDH-MNGWHVNVSA-N
XLogP1.10
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.10
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 (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
The IUPAC name of (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine (CID 89153933) is (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine.
What is the SMILES notation for (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
The canonical SMILES for (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine is [H]/N=C/[C@H](N)C1C=CC=CC1.
What is the InChIKey of (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
The InChIKey is GUSWQHZNHQQRDH-MNGWHVNVSA-N. The full InChI is InChI=1S/C8H12N2/c9-6-8(10)7-4-2-1-3-5-7/h1-4,6-9H,5,10H2/b9-6+/t7?,8-/m0/s1.
What are the key properties of (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine?
(1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine has a molecular weight of 136.20 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-cyclohexa-2,4-dien-1-yl-2-iminoethanamine is sourced from PubChem (CID 89153933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).