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

C9H21NO — CID 23423522

IUPAC2-[2-methylpropyl(propan-2-yl)amino]ethanol
SMILESCC(C)CN(CCO)C(C)C
InChIInChI=1S/C9H21NO/c1-8(2)7-10(5-6-11)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyGCHZFAGQGGNSDK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds5

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

2-[2-methylpropyl(propan-2-yl)amino]ethanol (PubChem CID 23423522) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 2-[2-methylpropyl(propan-2-yl)amino]ethanol.

Molecular Properties

Compound Name2-[2-methylpropyl(propan-2-yl)amino]ethanol
PubChem CID23423522
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name2-[2-methylpropyl(propan-2-yl)amino]ethanol
SMILESCC(C)CN(CCO)C(C)C
InChIInChI=1S/C9H21NO/c1-8(2)7-10(5-6-11)9(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyGCHZFAGQGGNSDK-UHFFFAOYSA-N
XLogP1.35
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[2-methylpropyl(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

Frequently Asked Questions

What is the IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]ethanol?
The IUPAC name of 2-[2-methylpropyl(propan-2-yl)amino]ethanol (CID 23423522) is 2-[2-methylpropyl(propan-2-yl)amino]ethanol.
What is the SMILES notation for 2-[2-methylpropyl(propan-2-yl)amino]ethanol?
The canonical SMILES for 2-[2-methylpropyl(propan-2-yl)amino]ethanol is CC(C)CN(CCO)C(C)C.
What is the InChIKey of 2-[2-methylpropyl(propan-2-yl)amino]ethanol?
The InChIKey is GCHZFAGQGGNSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-8(2)7-10(5-6-11)9(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-[2-methylpropyl(propan-2-yl)amino]ethanol?
2-[2-methylpropyl(propan-2-yl)amino]ethanol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methylpropyl(propan-2-yl)amino]ethanol is sourced from PubChem (CID 23423522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).