2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

C12H24N2 — CID 65228088

IUPAC2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(CN)C(C)C
InChIInChI=1S/C12H24N2/c1-5-7-14(8-6-2)10-12(9-13)11(3)4/h5-6,11-12H,1-2,7-10,13H2,3-4H3
InChIKeyIYXKOLXCBNHFGL-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.89
Rot. Bonds8

About 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine

2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (PubChem CID 65228088) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
PubChem CID65228088
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine
SMILESC=CCN(CC=C)CC(CN)C(C)C
InChIInChI=1S/C12H24N2/c1-5-7-14(8-6-2)10-12(9-13)11(3)4/h5-6,11-12H,1-2,7-10,13H2,3-4H3
InChIKeyIYXKOLXCBNHFGL-UHFFFAOYSA-N
XLogP1.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-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-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The IUPAC name of 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine (CID 65228088) is 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine.
What is the SMILES notation for 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The canonical SMILES for 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is C=CCN(CC=C)CC(CN)C(C)C.
What is the InChIKey of 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
The InChIKey is IYXKOLXCBNHFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-5-7-14(8-6-2)10-12(9-13)11(3)4/h5-6,11-12H,1-2,7-10,13H2,3-4H3.
What are the key properties of 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine?
2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-N',N'-bis(prop-2-enyl)propane-1,3-diamine is sourced from PubChem (CID 65228088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).