1-[2,2-dimethylpropyl(methyl)amino]ethanol

C8H19NO — CID 154651537

IUPAC1-[2,2-dimethylpropyl(methyl)amino]ethanol
SMILESCC(O)N(C)CC(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(10)9(5)6-8(2,3)4/h7,10H,6H2,1-5H3
InChIKeyVGSRCNKANDGAIL-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.30
Rot. Bonds2

About 1-[2,2-dimethylpropyl(methyl)amino]ethanol

1-[2,2-dimethylpropyl(methyl)amino]ethanol (PubChem CID 154651537) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-[2,2-dimethylpropyl(methyl)amino]ethanol.

Molecular Properties

Compound Name1-[2,2-dimethylpropyl(methyl)amino]ethanol
PubChem CID154651537
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-[2,2-dimethylpropyl(methyl)amino]ethanol
SMILESCC(O)N(C)CC(C)(C)C
InChIInChI=1S/C8H19NO/c1-7(10)9(5)6-8(2,3)4/h7,10H,6H2,1-5H3
InChIKeyVGSRCNKANDGAIL-UHFFFAOYSA-N
XLogP1.30
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,2,2-trimethyl-N-propan-2-ylpropan-1-amine
CID 23588538
(2S)-1-[2,2-dimethylpropyl(methyl)amino]propan-2-ol
CID 103935088
N-(2,2-dimethylpropyl)-N,5,5-trimethylhexan-2-amine
CID 156542499
N-(1-cyclopropylethyl)-N,2,2-trimethylpropan-1-amine
CID 77360899
1-[2,2-dimethylpropyl(methyl)amino]-3-propan-2-yloxypropan-2-ol
CID 62922207
5-[1-[2,2-dimethylpropyl(methyl)amino]ethyl]benzene-1,3-diol
CID 107708009
N-(2,2-dimethylpropyl)-N,2,3,4,4-pentamethylpentan-2-amine
CID 155428414
3-[2,2-dimethylpropyl(methyl)amino]butanehydrazide
CID 63578194
1-N-tert-butyl-3-N-(2,2-dimethylpropyl)-3-N,2-dimethylbutane-1,3-diamine
CID 79409701
4-N-(2,2-dimethylpropyl)-2-N-ethyl-4-N-methylpentane-2,4-diamine
CID 64707421
3-[2,2-dimethylpropyl(methyl)amino]propane-1,2-diol
CID 58066210
(1S)-1-(dimethylamino)ethanol
CID 93477761

Frequently Asked Questions

What is the IUPAC name of 1-[2,2-dimethylpropyl(methyl)amino]ethanol?
The IUPAC name of 1-[2,2-dimethylpropyl(methyl)amino]ethanol (CID 154651537) is 1-[2,2-dimethylpropyl(methyl)amino]ethanol.
What is the SMILES notation for 1-[2,2-dimethylpropyl(methyl)amino]ethanol?
The canonical SMILES for 1-[2,2-dimethylpropyl(methyl)amino]ethanol is CC(O)N(C)CC(C)(C)C.
What is the InChIKey of 1-[2,2-dimethylpropyl(methyl)amino]ethanol?
The InChIKey is VGSRCNKANDGAIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-7(10)9(5)6-8(2,3)4/h7,10H,6H2,1-5H3.
What are the key properties of 1-[2,2-dimethylpropyl(methyl)amino]ethanol?
1-[2,2-dimethylpropyl(methyl)amino]ethanol has a molecular weight of 145.25 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,2-dimethylpropyl(methyl)amino]ethanol is sourced from PubChem (CID 154651537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).