4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol

C10H23NO3 — CID 106246562

IUPAC4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
SMILESCOCC(O)CCNCCC(C)(C)O
InChIInChI=1S/C10H23NO3/c1-10(2,13)5-7-11-6-4-9(12)8-14-3/h9,11-13H,4-8H2,1-3H3
InChIKeyBDKFRQGQGZOTHC-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.13
Rot. Bonds8

About 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol

4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol (PubChem CID 106246562) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
PubChem CID106246562
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
SMILESCOCC(O)CCNCCC(C)(C)O
InChIInChI=1S/C10H23NO3/c1-10(2,13)5-7-11-6-4-9(12)8-14-3/h9,11-13H,4-8H2,1-3H3
InChIKeyBDKFRQGQGZOTHC-UHFFFAOYSA-N
XLogP0.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 50.13
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

4-(heptylamino)-1-methoxybutan-2-ol
CID 106245003
3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
CID 106244957
N-tert-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]acetamide
CID 106246865
4-[2-(2-methoxyethoxy)ethylamino]-2-methylbutan-2-ol
CID 79361268
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
1-methoxy-8,8-dimethylnonan-2-ol
CID 147170172
N-ethyl-3-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246679
4-(cycloheptylmethylamino)-1-methoxybutan-2-ol
CID 103876173
4-(2,3-dichloroprop-2-enylamino)-1-methoxybutan-2-ol
CID 106246561
methyl 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylpropanoate
CID 106246638
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
4-[(2-hydroxy-3-octoxypropyl)amino]-1-methoxybutan-2-ol
CID 106246427

Frequently Asked Questions

What is the IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol (CID 106246562) is 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol is COCC(O)CCNCCC(C)(C)O.
What is the InChIKey of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
The InChIKey is BDKFRQGQGZOTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-10(2,13)5-7-11-6-4-9(12)8-14-3/h9,11-13H,4-8H2,1-3H3.
What are the key properties of 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 0.13, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 106246562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).