2-[methanidyl(propyl)amino]ethanol

C6H14NO- — CID 159970489

IUPAC2-[methanidyl(propyl)amino]ethanol
SMILES[CH2-]N(CCC)CCO
InChIInChI=1S/C6H14NO/c1-3-4-7(2)5-6-8/h8H,2-6H2,1H3/q-1
InChIKeyWIVFMZGPMMSXBI-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.48
Rot. Bonds4

About 2-[methanidyl(propyl)amino]ethanol

2-[methanidyl(propyl)amino]ethanol (PubChem CID 159970489) has the molecular formula C6H14NO- and a molecular weight of 116.18 g/mol. Its IUPAC name is 2-[methanidyl(propyl)amino]ethanol.

Molecular Properties

Compound Name2-[methanidyl(propyl)amino]ethanol
PubChem CID159970489
Molecular FormulaC6H14NO-
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name2-[methanidyl(propyl)amino]ethanol
SMILES[CH2-]N(CCC)CCO
InChIInChI=1S/C6H14NO/c1-3-4-7(2)5-6-8/h8H,2-6H2,1H3/q-1
InChIKeyWIVFMZGPMMSXBI-UHFFFAOYSA-N
XLogP0.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[methanidyl(propyl)amino]ethanol 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

2-[2-hydroxyethyl(methanidyl)amino]ethanol
CID 23545685
2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
CID 118332539
N-ethyl-N-methanidylpropan-1-amine
CID 59691637
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol
CID 21107817
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
potassium 2-[methanidyl(2-methylpropyl)amino]ethanol
CID 154651163
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[dipropylsulfamoyl(2-hydroxyethyl)amino]ethanol
CID 61233822
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
2-[methanidyl(propan-2-yl)amino]ethanol
CID 59626620

Frequently Asked Questions

What is the IUPAC name of 2-[methanidyl(propyl)amino]ethanol?
The IUPAC name of 2-[methanidyl(propyl)amino]ethanol (CID 159970489) is 2-[methanidyl(propyl)amino]ethanol.
What is the SMILES notation for 2-[methanidyl(propyl)amino]ethanol?
The canonical SMILES for 2-[methanidyl(propyl)amino]ethanol is [CH2-]N(CCC)CCO.
What is the InChIKey of 2-[methanidyl(propyl)amino]ethanol?
The InChIKey is WIVFMZGPMMSXBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO/c1-3-4-7(2)5-6-8/h8H,2-6H2,1H3/q-1.
What are the key properties of 2-[methanidyl(propyl)amino]ethanol?
2-[methanidyl(propyl)amino]ethanol has a molecular weight of 116.18 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methanidyl(propyl)amino]ethanol is sourced from PubChem (CID 159970489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).