cyclohex-2-ene-1,2,4-triamine

C6H13N3 — CID 67555966

IUPACcyclohex-2-ene-1,2,4-triamine
SMILESNC1=CC(N)CCC1N
InChIInChI=1S/C6H13N3/c7-4-1-2-5(8)6(9)3-4/h3-5H,1-2,7-9H2
InChIKeyKYMAVUQFKNMGQM-UHFFFAOYSA-N
MW127.19 g/mol
LogP-0.72
Rot. Bonds

About cyclohex-2-ene-1,2,4-triamine

cyclohex-2-ene-1,2,4-triamine (PubChem CID 67555966) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is cyclohex-2-ene-1,2,4-triamine.

Molecular Properties

Compound Namecyclohex-2-ene-1,2,4-triamine
PubChem CID67555966
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Namecyclohex-2-ene-1,2,4-triamine
SMILESNC1=CC(N)CCC1N
InChIInChI=1S/C6H13N3/c7-4-1-2-5(8)6(9)3-4/h3-5H,1-2,7-9H2
InChIKeyKYMAVUQFKNMGQM-UHFFFAOYSA-N
XLogP-0.72
TPSA78.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohex-2-ene-1,2,4-triamine?
The IUPAC name of cyclohex-2-ene-1,2,4-triamine (CID 67555966) is cyclohex-2-ene-1,2,4-triamine.
What is the SMILES notation for cyclohex-2-ene-1,2,4-triamine?
The canonical SMILES for cyclohex-2-ene-1,2,4-triamine is NC1=CC(N)CCC1N.
What is the InChIKey of cyclohex-2-ene-1,2,4-triamine?
The InChIKey is KYMAVUQFKNMGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c7-4-1-2-5(8)6(9)3-4/h3-5H,1-2,7-9H2.
What are the key properties of cyclohex-2-ene-1,2,4-triamine?
cyclohex-2-ene-1,2,4-triamine has a molecular weight of 127.19 g/mol, XLogP of -0.72, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-2-ene-1,2,4-triamine is sourced from PubChem (CID 67555966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).