(1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine

C9H14N2 — CID 89153941

IUPAC(1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine
SMILES[H]/N=C/[C@H](N)C1CC=CC=C1C
InChIInChI=1S/C9H14N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-4,6,8-10H,5,11H2,1H3/b10-6+/t8?,9-/m0/s1
InChIKeyHMWFMBQKFWJGFW-JDDXQWCESA-N
MW150.23 g/mol
LogP1.49
Rot. Bonds2

About (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine

(1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine (PubChem CID 89153941) has the molecular formula C9H14N2 and a molecular weight of 150.23 g/mol. Its IUPAC name is (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine.

Molecular Properties

Compound Name(1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine
PubChem CID89153941
Molecular FormulaC9H14N2
Molecular Weight150.23 g/mol
Exact Mass150.12
IUPAC Name(1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine
SMILES[H]/N=C/[C@H](N)C1CC=CC=C1C
InChIInChI=1S/C9H14N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-4,6,8-10H,5,11H2,1H3/b10-6+/t8?,9-/m0/s1
InChIKeyHMWFMBQKFWJGFW-JDDXQWCESA-N
XLogP1.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.23
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine?
The IUPAC name of (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine (CID 89153941) is (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine.
What is the SMILES notation for (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine?
The canonical SMILES for (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine is [H]/N=C/[C@H](N)C1CC=CC=C1C.
What is the InChIKey of (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine?
The InChIKey is HMWFMBQKFWJGFW-JDDXQWCESA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-4,6,8-10H,5,11H2,1H3/b10-6+/t8?,9-/m0/s1.
What are the key properties of (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine?
(1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine has a molecular weight of 150.23 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-imino-1-(2-methylcyclohexa-2,4-dien-1-yl)ethanamine is sourced from PubChem (CID 89153941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).