[3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium

C11H25N4O+ — CID 21365728

IUPAC[3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CC(O)CN(C#CN)CNC
InChIInChI=1S/C11H25N4O/c1-5-15(3,4)9-11(16)8-14(7-6-12)10-13-2/h11,13,16H,5,8-10,12H2,1-4H3/q+1
InChIKeyQZWVGZWOTJIULW-UHFFFAOYSA-N
MW229.35 g/mol
LogP-1.20
Rot. Bonds7

About [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium

[3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium (PubChem CID 21365728) has the molecular formula C11H25N4O+ and a molecular weight of 229.35 g/mol. Its IUPAC name is [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium.

Molecular Properties

Compound Name[3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium
PubChem CID21365728
Molecular FormulaC11H25N4O+
Molecular Weight229.35 g/mol
Exact Mass229.20
IUPAC Name[3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium
SMILESCC[N+](C)(C)CC(O)CN(C#CN)CNC
InChIInChI=1S/C11H25N4O/c1-5-15(3,4)9-11(16)8-14(7-6-12)10-13-2/h11,13,16H,5,8-10,12H2,1-4H3/q+1
InChIKeyQZWVGZWOTJIULW-UHFFFAOYSA-N
XLogP-1.20
TPSA61.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium with MolForge

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

Launch Full Analysis

Related Compounds

3-Hydroxyethyl-1,3,5,8,12-pentaazacyclotetradecane
CID 11081665
Ethyl-[3-[ethyl(methylaminomethyl)amino]-2-hydroxypropyl]-dimethylazanium
CID 20709166
1-[1-Aminopropyl(2-hydroxypropyl)amino]propan-2-ol
CID 22486530
1-[1-Aminoethyl(2-hydroxypropyl)amino]propan-2-ol
CID 22486533
2,14-Dimethyl-2,6,10,14-tetraazapentadecan-8-OL
CID 53717176
1-[(4-Aminobutylamino)methylamino]-3-(methylaminomethylamino)propan-2-ol
CID 53790369
2-[3,3,3-Tris(methylamino)propylamino]ethanol
CID 54018520
2-[[3-(Dimethylamino)propylamino]methylamino]ethanol
CID 57086029
[3-[Dimethyl(methylaminomethyl)azaniumyl]-2-hydroxypropyl]-trimethylazanium
CID 59782628
1-[[3-(Dimethylamino)propylamino]methyl]azetidin-3-ol
CID 67353939
1-[3,3-Bis(2-hydroxypropyl)-1,3,5-triazinan-3-ium-1-yl]propan-2-ol
CID 69809740
1-[1,1-Bis(dimethylamino)propylamino]propan-2-ol
CID 87108795

Frequently Asked Questions

What is the IUPAC name of [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium?
The IUPAC name of [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium (CID 21365728) is [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium.
What is the SMILES notation for [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium?
The canonical SMILES for [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium is CC[N+](C)(C)CC(O)CN(C#CN)CNC.
What is the InChIKey of [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium?
The InChIKey is QZWVGZWOTJIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N4O/c1-5-15(3,4)9-11(16)8-14(7-6-12)10-13-2/h11,13,16H,5,8-10,12H2,1-4H3/q+1.
What are the key properties of [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium?
[3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium has a molecular weight of 229.35 g/mol, XLogP of -1.20, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-aminoethynyl(methylaminomethyl)amino]-2-hydroxypropyl]-ethyl-dimethylazanium is sourced from PubChem (CID 21365728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).