4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol

C11H25NO2 — CID 106146641

IUPAC4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(O)CCNCC(C)(C)CCO
InChIInChI=1S/C11H25NO2/c1-10(2,6-8-13)9-12-7-5-11(3,4)14/h12-14H,5-9H2,1-4H3
InChIKeyANNCUUVTWWBOJS-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.15
Rot. Bonds7

About 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol

4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol (PubChem CID 106146641) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol.

Molecular Properties

Compound Name4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
PubChem CID106146641
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol
SMILESCC(C)(O)CCNCC(C)(C)CCO
InChIInChI=1S/C11H25NO2/c1-10(2,6-8-13)9-12-7-5-11(3,4)14/h12-14H,5-9H2,1-4H3
InChIKeyANNCUUVTWWBOJS-UHFFFAOYSA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-4-(2-methylsulfanylethylamino)butan-1-ol
CID 106146552
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanenitrile
CID 106146761
3-[(3-hydroxy-3-methylbutyl)amino]-2-methylpropane-1,2-diol
CID 79355887
3,3-dimethyl-4-[2-(trifluoromethylsulfanyl)ethylamino]butan-1-ol
CID 106146928
3,3-dimethyl-4-(prop-2-enylamino)butan-1-ol
CID 106146633
N'-hydroxy-4-[(4-hydroxy-2,2-dimethylbutyl)amino]-2,2-dimethylbutanimidamide
CID 106148640
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
4-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-3,3-dimethylbutan-1-ol
CID 106146692
N'-hydroxy-3-[(4-hydroxy-2,2-dimethylbutyl)amino]propanimidamide
CID 106148623
3,3-dimethyl-4-(2-methylpropylamino)butan-1-ol
CID 115876647
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol?
The IUPAC name of 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol (CID 106146641) is 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol.
What is the SMILES notation for 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol?
The canonical SMILES for 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol is CC(C)(O)CCNCC(C)(C)CCO.
What is the InChIKey of 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol?
The InChIKey is ANNCUUVTWWBOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(2,6-8-13)9-12-7-5-11(3,4)14/h12-14H,5-9H2,1-4H3.
What are the key properties of 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol?
4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.15, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-3-methylbutyl)amino]-3,3-dimethylbutan-1-ol is sourced from PubChem (CID 106146641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).