(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine

C8H12N2 — CID 59977240

IUPAC(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine
SMILES[H]/N=C/C1=CC(=CN)CCC1
InChIInChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h4-6,9H,1-3,10H2/b8-6?,9-5+
InChIKeyUTWBUUJWUJYYHV-JUIIZTTKSA-N
MW136.20 g/mol
LogP1.59
Rot. Bonds1

About (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine

(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine (PubChem CID 59977240) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine.

Molecular Properties

Compound Name(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine
PubChem CID59977240
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine
SMILES[H]/N=C/C1=CC(=CN)CCC1
InChIInChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h4-6,9H,1-3,10H2/b8-6?,9-5+
InChIKeyUTWBUUJWUJYYHV-JUIIZTTKSA-N
XLogP1.59
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.59
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 (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine?
The IUPAC name of (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine (CID 59977240) is (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine.
What is the SMILES notation for (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine?
The canonical SMILES for (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine is [H]/N=C/C1=CC(=CN)CCC1.
What is the InChIKey of (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine?
The InChIKey is UTWBUUJWUJYYHV-JUIIZTTKSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-7-2-1-3-8(4-7)6-10/h4-6,9H,1-3,10H2/b8-6?,9-5+.
What are the key properties of (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine?
(3-methanimidoylcyclohex-2-en-1-ylidene)methanamine has a molecular weight of 136.20 g/mol, XLogP of 1.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methanimidoylcyclohex-2-en-1-ylidene)methanamine is sourced from PubChem (CID 59977240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).