2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine

C9H16N2 — CID 45091777

IUPAC2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine
SMILESCC1=C/C(=N/CCN)CCC1
InChIInChI=1S/C9H16N2/c1-8-3-2-4-9(7-8)11-6-5-10/h7H,2-6,10H2,1H3/b11-9+
InChIKeyRZSZQLSAGYDSPT-PKNBQFBNSA-N
MW152.24 g/mol
LogP1.52
Rot. Bonds2

About 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine

2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine (PubChem CID 45091777) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine.

Molecular Properties

Compound Name2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine
PubChem CID45091777
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine
SMILESCC1=C/C(=N/CCN)CCC1
InChIInChI=1S/C9H16N2/c1-8-3-2-4-9(7-8)11-6-5-10/h7H,2-6,10H2,1H3/b11-9+
InChIKeyRZSZQLSAGYDSPT-PKNBQFBNSA-N
XLogP1.52
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
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-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine?
The IUPAC name of 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine (CID 45091777) is 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine.
What is the SMILES notation for 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine?
The canonical SMILES for 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine is CC1=C/C(=N/CCN)CCC1.
What is the InChIKey of 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine?
The InChIKey is RZSZQLSAGYDSPT-PKNBQFBNSA-N. The full InChI is InChI=1S/C9H16N2/c1-8-3-2-4-9(7-8)11-6-5-10/h7H,2-6,10H2,1H3/b11-9+.
What are the key properties of 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine?
2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine has a molecular weight of 152.24 g/mol, XLogP of 1.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylcyclohex-2-en-1-ylidene)amino]ethanamine is sourced from PubChem (CID 45091777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).