cyclohex-2-en-1-ylmethanediamine

C7H14N2 — CID 67816641

IUPACcyclohex-2-en-1-ylmethanediamine
SMILESNC(N)C1C=CCCC1
InChIInChI=1S/C7H14N2/c8-7(9)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5,8-9H2
InChIKeyYJJXJUABUQMYIY-UHFFFAOYSA-N
MW126.20 g/mol
LogP0.59
Rot. Bonds1

About cyclohex-2-en-1-ylmethanediamine

cyclohex-2-en-1-ylmethanediamine (PubChem CID 67816641) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is cyclohex-2-en-1-ylmethanediamine.

Molecular Properties

Compound Namecyclohex-2-en-1-ylmethanediamine
PubChem CID67816641
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC Namecyclohex-2-en-1-ylmethanediamine
SMILESNC(N)C1C=CCCC1
InChIInChI=1S/C7H14N2/c8-7(9)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5,8-9H2
InChIKeyYJJXJUABUQMYIY-UHFFFAOYSA-N
XLogP0.59
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-en-1-ylmethanediamine?
The IUPAC name of cyclohex-2-en-1-ylmethanediamine (CID 67816641) is cyclohex-2-en-1-ylmethanediamine.
What is the SMILES notation for cyclohex-2-en-1-ylmethanediamine?
The canonical SMILES for cyclohex-2-en-1-ylmethanediamine is NC(N)C1C=CCCC1.
What is the InChIKey of cyclohex-2-en-1-ylmethanediamine?
The InChIKey is YJJXJUABUQMYIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c8-7(9)6-4-2-1-3-5-6/h2,4,6-7H,1,3,5,8-9H2.
What are the key properties of cyclohex-2-en-1-ylmethanediamine?
cyclohex-2-en-1-ylmethanediamine has a molecular weight of 126.20 g/mol, XLogP of 0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-en-1-ylmethanediamine is sourced from PubChem (CID 67816641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).