1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol

C10H20N2O — CID 54773424

IUPAC1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol
SMILESC=CCN(CC=C)CC(O)CNC
InChIInChI=1S/C10H20N2O/c1-4-6-12(7-5-2)9-10(13)8-11-3/h4-5,10-11,13H,1-2,6-9H2,3H3
InChIKeyXOVSHDLRDARSKD-UHFFFAOYSA-N
MW184.28 g/mol
LogP0.24
Rot. Bonds8

About 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol

1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol (PubChem CID 54773424) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol
PubChem CID54773424
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC Name1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol
SMILESC=CCN(CC=C)CC(O)CNC
InChIInChI=1S/C10H20N2O/c1-4-6-12(7-5-2)9-10(13)8-11-3/h4-5,10-11,13H,1-2,6-9H2,3H3
InChIKeyXOVSHDLRDARSKD-UHFFFAOYSA-N
XLogP0.24
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol 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 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol (CID 54773424) is 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol is C=CCN(CC=C)CC(O)CNC.
What is the InChIKey of 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol?
The InChIKey is XOVSHDLRDARSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O/c1-4-6-12(7-5-2)9-10(13)8-11-3/h4-5,10-11,13H,1-2,6-9H2,3H3.
What are the key properties of 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol?
1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol has a molecular weight of 184.28 g/mol, XLogP of 0.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[bis(prop-2-enyl)amino]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 54773424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).