[ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol

C18H46N6O2 — CID 157430945

IUPAC[ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol
SMILESCCNCN(CC)CN(CC)CO.CCNCN(CC)CN(CC)CO
InChIInChI=1S/2C9H23N3O/c2*1-4-10-7-11(5-2)8-12(6-3)9-13/h2*10,13H,4-9H2,1-3H3
InChIKeyBQNIFIYBVNJNNR-UHFFFAOYSA-N
MW378.61 g/mol
LogP0.21
Rot. Bonds16

About [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol

[ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol (PubChem CID 157430945) has the molecular formula C18H46N6O2 and a molecular weight of 378.61 g/mol. Its IUPAC name is [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol.

Molecular Properties

Compound Name[ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol
PubChem CID157430945
Molecular FormulaC18H46N6O2
Molecular Weight378.61 g/mol
Exact Mass378.37
IUPAC Name[ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol
SMILESCCNCN(CC)CN(CC)CO.CCNCN(CC)CN(CC)CO
InChIInChI=1S/2C9H23N3O/c2*1-4-10-7-11(5-2)8-12(6-3)9-13/h2*10,13H,4-9H2,1-3H3
InChIKeyBQNIFIYBVNJNNR-UHFFFAOYSA-N
XLogP0.21
TPSA77.48 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.61
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol 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 [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol?
The IUPAC name of [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol (CID 157430945) is [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol.
What is the SMILES notation for [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol?
The canonical SMILES for [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol is CCNCN(CC)CN(CC)CO.CCNCN(CC)CN(CC)CO.
What is the InChIKey of [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol?
The InChIKey is BQNIFIYBVNJNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H23N3O/c2*1-4-10-7-11(5-2)8-12(6-3)9-13/h2*10,13H,4-9H2,1-3H3.
What are the key properties of [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol?
[ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol has a molecular weight of 378.61 g/mol, XLogP of 0.21, 16 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [ethyl-[[ethyl(ethylaminomethyl)amino]methyl]amino]methanol is sourced from PubChem (CID 157430945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).