2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine

C9H14N2 — CID 89153800

IUPAC2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine
SMILES[H]/N=C/C(N)C1=CC=CCC1C
InChIInChI=1S/C9H14N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,5-7,9-10H,4,11H2,1H3/b10-6+
InChIKeyQALFSATUURSWLJ-UXBLZVDNSA-N
MW150.22 g/mol
LogP1.49
Rot. Bonds2

About 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine

2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine (PubChem CID 89153800) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine.

Molecular Properties

Compound Name2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine
PubChem CID89153800
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine
SMILES[H]/N=C/C(N)C1=CC=CCC1C
InChIInChI=1S/C9H14N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,5-7,9-10H,4,11H2,1H3/b10-6+
InChIKeyQALFSATUURSWLJ-UXBLZVDNSA-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 ≤ 500150.22
LogP ≤ 51.49
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 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The IUPAC name of 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine (CID 89153800) is 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine.
What is the SMILES notation for 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The canonical SMILES for 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine is [H]/N=C/C(N)C1=CC=CCC1C.
What is the InChIKey of 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine?
The InChIKey is QALFSATUURSWLJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C9H14N2/c1-7-4-2-3-5-8(7)9(11)6-10/h2-3,5-7,9-10H,4,11H2,1H3/b10-6+.
What are the key properties of 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine?
2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine has a molecular weight of 150.22 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 2-imino-1-(6-methylcyclohexa-1,3-dien-1-yl)ethanamine is sourced from PubChem (CID 89153800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).