2-[ethyl-(pentan-2-ylamino)amino]ethanol

C9H22N2O — CID 175132425

IUPAC2-[ethyl-(pentan-2-ylamino)amino]ethanol
SMILESCCCC(C)NN(CC)CCO
InChIInChI=1S/C9H22N2O/c1-4-6-9(3)10-11(5-2)7-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyIWWVFDCHVOEUJI-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.99
Rot. Bonds7

About 2-[ethyl-(pentan-2-ylamino)amino]ethanol

2-[ethyl-(pentan-2-ylamino)amino]ethanol (PubChem CID 175132425) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-[ethyl-(pentan-2-ylamino)amino]ethanol.

Molecular Properties

Compound Name2-[ethyl-(pentan-2-ylamino)amino]ethanol
PubChem CID175132425
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-[ethyl-(pentan-2-ylamino)amino]ethanol
SMILESCCCC(C)NN(CC)CCO
InChIInChI=1S/C9H22N2O/c1-4-6-9(3)10-11(5-2)7-8-12/h9-10,12H,4-8H2,1-3H3
InChIKeyIWWVFDCHVOEUJI-UHFFFAOYSA-N
XLogP0.99
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[ethyl-(pentan-2-ylamino)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(pentan-2-yl)amino]ethanol
CID 107886008
2-[2-hydroxyethyl(propyl)amino]-N-pentan-2-ylpropanamide
CID 62014640
2-[2-hydroxyethyl(pentan-3-yl)amino]-N-pentan-2-ylacetamide
CID 62016068
2-[2-hydroxyethyl(methyl)amino]-N-pentan-2-ylpropanamide
CID 62020256
2-[2,2-difluoroethyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 107485178
2-[cyclopropyl(2-hydroxyethyl)amino]-N-pentan-2-ylpropanamide
CID 62021160
2-[butyl(2-hydroxyethyl)amino]-N-pentan-2-ylacetamide
CID 60689454
2-methyl-3-(pentan-2-ylamino)propan-1-ol
CID 65031909
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
2-[4-aminobutan-2-yl(propyl)amino]ethanol
CID 61424926
2-(2,2-dibutylhydrazinyl)propan-1-amine
CID 146501900
2-(2,2-diethylhydrazinyl)propanoic acid
CID 175089566

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(pentan-2-ylamino)amino]ethanol?
The IUPAC name of 2-[ethyl-(pentan-2-ylamino)amino]ethanol (CID 175132425) is 2-[ethyl-(pentan-2-ylamino)amino]ethanol.
What is the SMILES notation for 2-[ethyl-(pentan-2-ylamino)amino]ethanol?
The canonical SMILES for 2-[ethyl-(pentan-2-ylamino)amino]ethanol is CCCC(C)NN(CC)CCO.
What is the InChIKey of 2-[ethyl-(pentan-2-ylamino)amino]ethanol?
The InChIKey is IWWVFDCHVOEUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-4-6-9(3)10-11(5-2)7-8-12/h9-10,12H,4-8H2,1-3H3.
What are the key properties of 2-[ethyl-(pentan-2-ylamino)amino]ethanol?
2-[ethyl-(pentan-2-ylamino)amino]ethanol has a molecular weight of 174.29 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(pentan-2-ylamino)amino]ethanol is sourced from PubChem (CID 175132425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).