2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol

C9H22N2O — CID 3020016

IUPAC2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol
SMILESCN(C)CC(C)(C)CNCCO
InChIInChI=1S/C9H22N2O/c1-9(2,8-11(3)4)7-10-5-6-12/h10,12H,5-8H2,1-4H3
InChIKeySATBRZBUHWPNPR-UHFFFAOYSA-N
MW174.29 g/mol
LogP0.16
Rot. Bonds6

About 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol

2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol (PubChem CID 3020016) has the molecular formula C9H22N2O and a molecular weight of 174.29 g/mol. Its IUPAC name is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol.

Molecular Properties

Compound Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol
PubChem CID3020016
Molecular FormulaC9H22N2O
Molecular Weight174.29 g/mol
Exact Mass174.17
IUPAC Name2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol
SMILESCN(C)CC(C)(C)CNCCO
InChIInChI=1S/C9H22N2O/c1-9(2,8-11(3)4)7-10-5-6-12/h10,12H,5-8H2,1-4H3
InChIKeySATBRZBUHWPNPR-UHFFFAOYSA-N
XLogP0.16
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol?
The IUPAC name of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol (CID 3020016) is 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol.
What is the SMILES notation for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol?
The canonical SMILES for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol is CN(C)CC(C)(C)CNCCO.
What is the InChIKey of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol?
The InChIKey is SATBRZBUHWPNPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22N2O/c1-9(2,8-11(3)4)7-10-5-6-12/h10,12H,5-8H2,1-4H3.
What are the key properties of 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol?
2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol has a molecular weight of 174.29 g/mol, XLogP of 0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]ethanol is sourced from PubChem (CID 3020016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).