2-(2,4,4-trimethylpentylamino)ethanol

C10H23NO — CID 171633934

IUPAC2-(2,4,4-trimethylpentylamino)ethanol
SMILESCC(CNCCO)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(7-10(2,3)4)8-11-5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyGRJNKPOKDYSEJZ-UHFFFAOYSA-N
MW173.30 g/mol
LogP1.64
Rot. Bonds5

About 2-(2,4,4-trimethylpentylamino)ethanol

2-(2,4,4-trimethylpentylamino)ethanol (PubChem CID 171633934) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is 2-(2,4,4-trimethylpentylamino)ethanol.

Molecular Properties

Compound Name2-(2,4,4-trimethylpentylamino)ethanol
PubChem CID171633934
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC Name2-(2,4,4-trimethylpentylamino)ethanol
SMILESCC(CNCCO)CC(C)(C)C
InChIInChI=1S/C10H23NO/c1-9(7-10(2,3)4)8-11-5-6-12/h9,11-12H,5-8H2,1-4H3
InChIKeyGRJNKPOKDYSEJZ-UHFFFAOYSA-N
XLogP1.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-((3-Methylbutyl)amino)ethan-1-ol
CID 278477
2-(2-Methylbutylamino)-ethanol
CID 296374
2-[(2-Ethylhexyl)amino]ethanol
CID 276971
2-[(4-Methylpentan-2-yl)amino]ethanol
CID 276939
1-[(4-Methylpentan-2-yl)amino]propan-2-ol
CID 277591
1-(5-Methylhexylamino)propan-2-ol
CID 115325577
2-((3-Aminopropyl)butylamino)ethanol
CID 56137
1-(3-Fluoropropylamino)-4,4-dimethylpentan-2-ol
CID 107151915
1-(2-Fluoroethylamino)-4,4-dimethylpentan-2-ol
CID 107152202
2-[[2-Methyl-2-[(2-methylpropylamino)methyl]pentyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107487002
(2S)-2-(2,2-dimethylpropylamino)-4-methylpentan-1-ol
CID 93675820
2-(4-Methylpentylamino)ethanol
CID 278543

Frequently Asked Questions

What is the IUPAC name of 2-(2,4,4-trimethylpentylamino)ethanol?
The IUPAC name of 2-(2,4,4-trimethylpentylamino)ethanol (CID 171633934) is 2-(2,4,4-trimethylpentylamino)ethanol.
What is the SMILES notation for 2-(2,4,4-trimethylpentylamino)ethanol?
The canonical SMILES for 2-(2,4,4-trimethylpentylamino)ethanol is CC(CNCCO)CC(C)(C)C.
What is the InChIKey of 2-(2,4,4-trimethylpentylamino)ethanol?
The InChIKey is GRJNKPOKDYSEJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-9(7-10(2,3)4)8-11-5-6-12/h9,11-12H,5-8H2,1-4H3.
What are the key properties of 2-(2,4,4-trimethylpentylamino)ethanol?
2-(2,4,4-trimethylpentylamino)ethanol has a molecular weight of 173.30 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,4-trimethylpentylamino)ethanol is sourced from PubChem (CID 171633934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).