2-[3-aminopropyl(methyl)amino]ethanol;azane

C6H19N3O — CID 22046068

IUPAC2-[3-aminopropyl(methyl)amino]ethanol;azane
SMILESCN(CCO)CCCN.N
InChIInChI=1S/C6H16N2O.H3N/c1-8(5-6-9)4-2-3-7;/h9H,2-7H2,1H3;1H3
InChIKeyNNWYPUQNUPDRLK-UHFFFAOYSA-N
MW149.24 g/mol
LogP-0.58
Rot. Bonds5

About 2-[3-aminopropyl(methyl)amino]ethanol;azane

2-[3-aminopropyl(methyl)amino]ethanol;azane (PubChem CID 22046068) has the molecular formula C6H19N3O and a molecular weight of 149.24 g/mol. Its IUPAC name is 2-[3-aminopropyl(methyl)amino]ethanol;azane.

Molecular Properties

Compound Name2-[3-aminopropyl(methyl)amino]ethanol;azane
PubChem CID22046068
Molecular FormulaC6H19N3O
Molecular Weight149.24 g/mol
Exact Mass149.15
IUPAC Name2-[3-aminopropyl(methyl)amino]ethanol;azane
SMILESCN(CCO)CCCN.N
InChIInChI=1S/C6H16N2O.H3N/c1-8(5-6-9)4-2-3-7;/h9H,2-7H2,1H3;1H3
InChIKeyNNWYPUQNUPDRLK-UHFFFAOYSA-N
XLogP-0.58
TPSA84.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-aminopropyl(methyl)amino]ethanol;azane?
The IUPAC name of 2-[3-aminopropyl(methyl)amino]ethanol;azane (CID 22046068) is 2-[3-aminopropyl(methyl)amino]ethanol;azane.
What is the SMILES notation for 2-[3-aminopropyl(methyl)amino]ethanol;azane?
The canonical SMILES for 2-[3-aminopropyl(methyl)amino]ethanol;azane is CN(CCO)CCCN.N.
What is the InChIKey of 2-[3-aminopropyl(methyl)amino]ethanol;azane?
The InChIKey is NNWYPUQNUPDRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16N2O.H3N/c1-8(5-6-9)4-2-3-7;/h9H,2-7H2,1H3;1H3.
What are the key properties of 2-[3-aminopropyl(methyl)amino]ethanol;azane?
2-[3-aminopropyl(methyl)amino]ethanol;azane has a molecular weight of 149.24 g/mol, XLogP of -0.58, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-aminopropyl(methyl)amino]ethanol;azane is sourced from PubChem (CID 22046068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).