1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol

C10H23NO3 — CID 106254985

IUPAC1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNCCCCO
InChIInChI=1S/C10H23NO3/c1-10(13,5-8-14-2)9-11-6-3-4-7-12/h11-13H,3-9H2,1-2H3
InChIKeyJYLYGNRUQBWCKU-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.14
Rot. Bonds9

About 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol

1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol (PubChem CID 106254985) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol
PubChem CID106254985
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol
SMILESCOCCC(C)(O)CNCCCCO
InChIInChI=1S/C10H23NO3/c1-10(13,5-8-14-2)9-11-6-3-4-7-12/h11-13H,3-9H2,1-2H3
InChIKeyJYLYGNRUQBWCKU-UHFFFAOYSA-N
XLogP0.14
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(4-methoxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147134
5-(4-hydroxybutylamino)-4,4-dimethylpentan-1-ol
CID 106147208
3-(4-methoxybutylamino)-2,2-dimethylpropan-1-ol
CID 81410944
1-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-2-ol
CID 106292550
6-(2,2-dimethylpropylamino)hexan-1-ol
CID 115909001
1-methoxy-3-(2-methoxyethylamino)-2-methylpropan-2-ol
CID 62774154
1-[3-(2-methoxyethoxy)propylamino]-2-methylbutan-2-ol
CID 104985809
2-[(4-hydroxybutylamino)methyl]-2-methylpropane-1,3-diol
CID 106841911
3-[2-[2-(2-methoxyethoxy)ethoxy]ethylamino]-2-methylpropane-1,2-diol
CID 113426999
5-[(3-methoxy-3-methylbutyl)amino]-4,4-dimethylpentan-1-ol
CID 106144667
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
5-(3-fluoropropylamino)-4,4-dimethylpentan-1-ol
CID 106147019

Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol?
The IUPAC name of 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol (CID 106254985) is 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol.
What is the SMILES notation for 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol?
The canonical SMILES for 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol is COCCC(C)(O)CNCCCCO.
What is the InChIKey of 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol?
The InChIKey is JYLYGNRUQBWCKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-10(13,5-8-14-2)9-11-6-3-4-7-12/h11-13H,3-9H2,1-2H3.
What are the key properties of 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol?
1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxybutylamino)-4-methoxy-2-methylbutan-2-ol is sourced from PubChem (CID 106254985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).