5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol

C11H25NO2 — CID 106147208

IUPAC5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCCCCO
InChIInChI=1S/C11H25NO2/c1-11(2,6-5-9-14)10-12-7-3-4-8-13/h12-14H,3-10H2,1-2H3
InChIKeySGHQTBWSLLQGJO-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.15
Rot. Bonds9

About 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol

5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol (PubChem CID 106147208) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
PubChem CID106147208
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
SMILESCC(C)(CCCO)CNCCCCO
InChIInChI=1S/C11H25NO2/c1-11(2,6-5-9-14)10-12-7-3-4-8-13/h12-14H,3-10H2,1-2H3
InChIKeySGHQTBWSLLQGJO-UHFFFAOYSA-N
XLogP1.15
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
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

5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019
5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
4,4-dimethyl-5-(prop-2-enylamino)pentan-1-ol
CID 106147093
4,4-dimethyl-5-(3,3,3-trifluoropropylamino)pentan-1-ol
CID 106147109
4,4-dimethyl-5-(3-methylbutylamino)pentan-1-ol
CID 103578749
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
4-(dodecylamino)-3,3-dimethylbutan-1-ol
CID 106146657
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
N'-hydroxy-5-[(5-hydroxy-2,2-dimethylpentyl)amino]-2,2-dimethylpentanimidamide
CID 106148665
4,4-dimethyl-5-(2-propan-2-yloxyethylamino)pentan-1-ol
CID 106147209
2-[(4-hydroxybutylamino)methyl]-2-methylpropane-1,3-diol
CID 106841911
2-[(5-hydroxy-2,2-dimethylpentyl)amino]acetonitrile
CID 106147054

Frequently Asked Questions

What is the IUPAC name of 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The IUPAC name of 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol (CID 106147208) is 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol is CC(C)(CCCO)CNCCCCO.
What is the InChIKey of 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
The InChIKey is SGHQTBWSLLQGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-11(2,6-5-9-14)10-12-7-3-4-8-13/h12-14H,3-10H2,1-2H3.
What are the key properties of 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol?
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.15, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 106147208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).