(1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine

C9H16N2 — CID 167030960

IUPAC(1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine
SMILES[H]/N=C(\C)C1=C(C)C[C@H](N)CC1
InChIInChI=1S/C9H16N2/c1-6-5-8(11)3-4-9(6)7(2)10/h8,10H,3-5,11H2,1-2H3/b10-7+/t8-/m1/s1
InChIKeyRGFQHEYITDPJMA-RYGSOJJJSA-N
MW152.24 g/mol
LogP1.85
Rot. Bonds1

About (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine

(1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine (PubChem CID 167030960) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine
PubChem CID167030960
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine
SMILES[H]/N=C(\C)C1=C(C)C[C@H](N)CC1
InChIInChI=1S/C9H16N2/c1-6-5-8(11)3-4-9(6)7(2)10/h8,10H,3-5,11H2,1-2H3/b10-7+/t8-/m1/s1
InChIKeyRGFQHEYITDPJMA-RYGSOJJJSA-N
XLogP1.85
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine 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)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
The IUPAC name of (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine (CID 167030960) is (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine.
What is the SMILES notation for (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
The canonical SMILES for (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine is [H]/N=C(\C)C1=C(C)C[C@H](N)CC1.
What is the InChIKey of (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
The InChIKey is RGFQHEYITDPJMA-RYGSOJJJSA-N. The full InChI is InChI=1S/C9H16N2/c1-6-5-8(11)3-4-9(6)7(2)10/h8,10H,3-5,11H2,1-2H3/b10-7+/t8-/m1/s1.
What are the key properties of (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
(1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.85, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-4-ethanimidoyl-3-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 167030960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).