1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine

C15H26N2 — CID 121450545

IUPAC1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC(N)CNC1CCCC=C1C1CC=CCC1
InChIInChI=1S/C15H26N2/c1-12(16)11-17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-3,9,12-13,15,17H,4-8,10-11,16H2,1H3
InChIKeyVOYPJQQBWGIOHL-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.76
Rot. Bonds4

About 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine

1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine (PubChem CID 121450545) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine.

Molecular Properties

Compound Name1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine
PubChem CID121450545
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine
SMILESCC(N)CNC1CCCC=C1C1CC=CCC1
InChIInChI=1S/C15H26N2/c1-12(16)11-17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-3,9,12-13,15,17H,4-8,10-11,16H2,1H3
InChIKeyVOYPJQQBWGIOHL-UHFFFAOYSA-N
XLogP2.76
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine?
The IUPAC name of 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine (CID 121450545) is 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine.
What is the SMILES notation for 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine?
The canonical SMILES for 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine is CC(N)CNC1CCCC=C1C1CC=CCC1.
What is the InChIKey of 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine?
The InChIKey is VOYPJQQBWGIOHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-12(16)11-17-15-10-6-5-9-14(15)13-7-3-2-4-8-13/h2-3,9,12-13,15,17H,4-8,10-11,16H2,1H3.
What are the key properties of 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine?
1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-cyclohex-3-en-1-ylcyclohex-2-en-1-yl)propane-1,2-diamine is sourced from PubChem (CID 121450545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).