2-prop-2-enyloctane-1,2-diamine

C11H24N2 — CID 88502461

IUPAC2-prop-2-enyloctane-1,2-diamine
SMILESC=CCC(N)(CN)CCCCCC
InChIInChI=1S/C11H24N2/c1-3-5-6-7-9-11(13,10-12)8-4-2/h4H,2-3,5-10,12-13H2,1H3
InChIKeyHDEQVJMTRFKKBJ-UHFFFAOYSA-N
MW184.33 g/mol
LogP2.19
Rot. Bonds8

About 2-prop-2-enyloctane-1,2-diamine

2-prop-2-enyloctane-1,2-diamine (PubChem CID 88502461) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-prop-2-enyloctane-1,2-diamine.

Molecular Properties

Compound Name2-prop-2-enyloctane-1,2-diamine
PubChem CID88502461
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-prop-2-enyloctane-1,2-diamine
SMILESC=CCC(N)(CN)CCCCCC
InChIInChI=1S/C11H24N2/c1-3-5-6-7-9-11(13,10-12)8-4-2/h4H,2-3,5-10,12-13H2,1H3
InChIKeyHDEQVJMTRFKKBJ-UHFFFAOYSA-N
XLogP2.19
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-prop-2-enyloctane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyloctane-1,2-diamine?
The IUPAC name of 2-prop-2-enyloctane-1,2-diamine (CID 88502461) is 2-prop-2-enyloctane-1,2-diamine.
What is the SMILES notation for 2-prop-2-enyloctane-1,2-diamine?
The canonical SMILES for 2-prop-2-enyloctane-1,2-diamine is C=CCC(N)(CN)CCCCCC.
What is the InChIKey of 2-prop-2-enyloctane-1,2-diamine?
The InChIKey is HDEQVJMTRFKKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-3-5-6-7-9-11(13,10-12)8-4-2/h4H,2-3,5-10,12-13H2,1H3.
What are the key properties of 2-prop-2-enyloctane-1,2-diamine?
2-prop-2-enyloctane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyloctane-1,2-diamine is sourced from PubChem (CID 88502461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).