5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol

C11H25NO2 — CID 106157496

IUPAC5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNC(C)C(C)(C)O
InChIInChI=1S/C11H25NO2/c1-9(8-13)6-5-7-12-10(2)11(3,4)14/h9-10,12-14H,5-8H2,1-4H3
InChIKeyUGWFMQXXTNNPPZ-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.14
Rot. Bonds7

About 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol

5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol (PubChem CID 106157496) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
PubChem CID106157496
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
SMILESCC(CO)CCCNC(C)C(C)(C)O
InChIInChI=1S/C11H25NO2/c1-9(8-13)6-5-7-12-10(2)11(3,4)14/h9-10,12-14H,5-8H2,1-4H3
InChIKeyUGWFMQXXTNNPPZ-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
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

2-methyl-3-(4,4,4-trifluorobutylamino)butan-2-ol
CID 115516246
(2R,6R)-2,6-dimethylheptane-1,7-diol
CID 10534981
2,6-dimethylheptane-1,7-diol
CID 12653721
2,7-dimethyloctane-1,8-diol
CID 11008425
N,N'-bis(3,3-dimethylbutan-2-yl)-2-methylpentane-1,5-diamine
CID 87166013
5-(1,1-dimethoxypropan-2-ylamino)-2-methylpentan-1-ol
CID 106158376
3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
CID 106244957
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
2-[(5-hydroxy-4-methylpentyl)amino]butanoic acid
CID 106158405
2-methyl-5-(nonan-2-ylamino)pentan-1-ol
CID 104862242
2-methyl-5-(1-methylsulfonylpropan-2-ylamino)pentan-1-ol
CID 103914602
N'-hydroxy-2-[(5-hydroxy-4-methylpentyl)amino]propanimidamide
CID 106161760

Frequently Asked Questions

What is the IUPAC name of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol?
The IUPAC name of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol (CID 106157496) is 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol.
What is the SMILES notation for 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol?
The canonical SMILES for 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol is CC(CO)CCCNC(C)C(C)(C)O.
What is the InChIKey of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol?
The InChIKey is UGWFMQXXTNNPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-9(8-13)6-5-7-12-10(2)11(3,4)14/h9-10,12-14H,5-8H2,1-4H3.
What are the key properties of 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol?
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol is sourced from PubChem (CID 106157496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).