2-[methanidyl(propan-2-yl)amino]ethanol

C6H14NO- — CID 59626620

IUPAC2-[methanidyl(propan-2-yl)amino]ethanol
SMILES[CH2-]N(CCO)C(C)C
InChIInChI=1S/C6H14NO/c1-6(2)7(3)4-5-8/h6,8H,3-5H2,1-2H3/q-1
InChIKeyDPWGCOOGWVRWDN-UHFFFAOYSA-N
MW116.18 g/mol
LogP0.48
Rot. Bonds3

About 2-[methanidyl(propan-2-yl)amino]ethanol

2-[methanidyl(propan-2-yl)amino]ethanol (PubChem CID 59626620) has the molecular formula C6H14NO- and a molecular weight of 116.18 g/mol. Its IUPAC name is 2-[methanidyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[methanidyl(propan-2-yl)amino]ethanol
PubChem CID59626620
Molecular FormulaC6H14NO-
Molecular Weight116.18 g/mol
Exact Mass116.11
IUPAC Name2-[methanidyl(propan-2-yl)amino]ethanol
SMILES[CH2-]N(CCO)C(C)C
InChIInChI=1S/C6H14NO/c1-6(2)7(3)4-5-8/h6,8H,3-5H2,1-2H3/q-1
InChIKeyDPWGCOOGWVRWDN-UHFFFAOYSA-N
XLogP0.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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(propan-2-yl)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-[methanidyl(1-phenylethyl)amino]ethanol
CID 123296934
potassium 2-[methanidyl(2-methylpropyl)amino]ethanol
CID 154651163
2-[di(propan-2-yl)amino]ethanol;methane
CID 145105271
2-[2-hydroxyethyl(methanidyl)amino]ethanol
CID 23545685
2-[tert-butyl(propan-2-yl)amino]ethanol
CID 54545866
2-[methanidyl(propyl)amino]ethanol
CID 159970489
dihydroxy(oxo)phosphanium;2-[methyl(propan-2-yl)amino]ethanol
CID 22160999
N-(2-hydroxyethyl)-N-propan-2-ylpropane-2-sulfonamide
CID 60865128
[2-hydroxyethyl(methylsulfonyl)amino]-trimethylphosphanium
CID 129254185
(2S)-1-[2-hydroxyethyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 6950665
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
2,3,4,5,6-pentafluoro-N-(2-hydroxyethyl)-N-propan-2-ylbenzamide
CID 43608029

Frequently Asked Questions

What is the IUPAC name of 2-[methanidyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[methanidyl(propan-2-yl)amino]ethanol (CID 59626620) is 2-[methanidyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[methanidyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[methanidyl(propan-2-yl)amino]ethanol is [CH2-]N(CCO)C(C)C.
What is the InChIKey of 2-[methanidyl(propan-2-yl)amino]ethanol?
The InChIKey is DPWGCOOGWVRWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14NO/c1-6(2)7(3)4-5-8/h6,8H,3-5H2,1-2H3/q-1.
What are the key properties of 2-[methanidyl(propan-2-yl)amino]ethanol?
2-[methanidyl(propan-2-yl)amino]ethanol has a molecular weight of 116.18 g/mol, XLogP of 0.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methanidyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 59626620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).