4-ethanimidoyl-3-methylcyclohex-3-en-1-amine

C9H16N2 — CID 167030981

IUPAC4-ethanimidoyl-3-methylcyclohex-3-en-1-amine
SMILES[H]/N=C(\C)C1=C(C)CC(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+
InChIKeyRGFQHEYITDPJMA-JXMROGBWSA-N
MW152.24 g/mol
LogP1.85
Rot. Bonds1

About 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine

4-ethanimidoyl-3-methylcyclohex-3-en-1-amine (PubChem CID 167030981) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine.

Molecular Properties

Compound Name4-ethanimidoyl-3-methylcyclohex-3-en-1-amine
PubChem CID167030981
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-ethanimidoyl-3-methylcyclohex-3-en-1-amine
SMILES[H]/N=C(\C)C1=C(C)CC(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+
InChIKeyRGFQHEYITDPJMA-JXMROGBWSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
The IUPAC name of 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine (CID 167030981) is 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine.
What is the SMILES notation for 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
The canonical SMILES for 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine is [H]/N=C(\C)C1=C(C)CC(N)CC1.
What is the InChIKey of 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
The InChIKey is RGFQHEYITDPJMA-JXMROGBWSA-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+.
What are the key properties of 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine?
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 4-ethanimidoyl-3-methylcyclohex-3-en-1-amine is sourced from PubChem (CID 167030981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).