2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine

C9H18N2 — CID 130452255

IUPAC2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine
SMILESC=CCC(C)(N)NCC(=C)C
InChIInChI=1S/C9H18N2/c1-5-6-9(4,10)11-7-8(2)3/h5,11H,1-2,6-7,10H2,3-4H3
InChIKeyFKZGJIKNKSNRHK-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.40
Rot. Bonds5

About 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine

2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine (PubChem CID 130452255) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine.

Molecular Properties

Compound Name2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine
PubChem CID130452255
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine
SMILESC=CCC(C)(N)NCC(=C)C
InChIInChI=1S/C9H18N2/c1-5-6-9(4,10)11-7-8(2)3/h5,11H,1-2,6-7,10H2,3-4H3
InChIKeyFKZGJIKNKSNRHK-UHFFFAOYSA-N
XLogP1.40
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.40
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'}

Analyze 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-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-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine?
The IUPAC name of 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine (CID 130452255) is 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine.
What is the SMILES notation for 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine?
The canonical SMILES for 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine is C=CCC(C)(N)NCC(=C)C.
What is the InChIKey of 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine?
The InChIKey is FKZGJIKNKSNRHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-6-9(4,10)11-7-8(2)3/h5,11H,1-2,6-7,10H2,3-4H3.
What are the key properties of 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine?
2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine has a molecular weight of 154.26 g/mol, XLogP of 1.40, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N'-(2-methylprop-2-enyl)pent-4-ene-2,2-diamine is sourced from PubChem (CID 130452255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).