2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine

C9H16N2 — CID 89074104

IUPAC2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine
SMILES[H]/N=C(\CN)C1CC=CCC1C
InChIInChI=1S/C9H16N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,7-8,11H,4-6,10H2,1H3/b11-9+
InChIKeySXYWXQTXIOGWLR-PKNBQFBNSA-N
MW152.24 g/mol
LogP1.57
Rot. Bonds2

About 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine

2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine (PubChem CID 89074104) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine.

Molecular Properties

Compound Name2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine
PubChem CID89074104
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine
SMILES[H]/N=C(\CN)C1CC=CCC1C
InChIInChI=1S/C9H16N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,7-8,11H,4-6,10H2,1H3/b11-9+
InChIKeySXYWXQTXIOGWLR-PKNBQFBNSA-N
XLogP1.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine?
The IUPAC name of 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine (CID 89074104) is 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine.
What is the SMILES notation for 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine?
The canonical SMILES for 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine is [H]/N=C(\CN)C1CC=CCC1C.
What is the InChIKey of 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine?
The InChIKey is SXYWXQTXIOGWLR-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,7-8,11H,4-6,10H2,1H3/b11-9+.
What are the key properties of 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine?
2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-2-(6-methylcyclohex-3-en-1-yl)ethanamine is sourced from PubChem (CID 89074104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).