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

C10H23NO3 — CID 106244957

IUPAC3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
SMILESCOCC(O)CCNC(C)C(C)(C)O
InChIInChI=1S/C10H23NO3/c1-8(10(2,3)13)11-6-5-9(12)7-14-4/h8-9,11-13H,5-7H2,1-4H3
InChIKeySZIBYJYURZMCOG-UHFFFAOYSA-N
MW205.30 g/mol
LogP0.13
Rot. Bonds7

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

3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol (PubChem CID 106244957) has the molecular formula C10H23NO3 and a molecular weight of 205.30 g/mol. Its IUPAC name is 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
PubChem CID106244957
Molecular FormulaC10H23NO3
Molecular Weight205.30 g/mol
Exact Mass205.17
IUPAC Name3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
SMILESCOCC(O)CCNC(C)C(C)(C)O
InChIInChI=1S/C10H23NO3/c1-8(10(2,3)13)11-6-5-9(12)7-14-4/h8-9,11-13H,5-7H2,1-4H3
InChIKeySZIBYJYURZMCOG-UHFFFAOYSA-N
XLogP0.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
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

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Related Compounds

1-methoxy-4-(5-methylhexan-2-ylamino)butan-2-ol
CID 115897174
1-methoxy-4-(pentan-2-ylamino)butan-2-ol
CID 115897158
4-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol
CID 106246562
3-(2-ethoxyethylamino)-2-methylbutan-2-ol
CID 65337537
5-[(3-hydroxy-3-methylbutan-2-yl)amino]-2-methylpentan-1-ol
CID 106157496
4-hydroxy-N-(3-hydroxy-4-methoxybutyl)pentanamide
CID 106248553
N-(3-hydroxy-4-methoxybutyl)formamide
CID 106243326
2-hydroxyethyl N-(3-hydroxy-4-methoxybutyl)carbamate
CID 106248555
(2R,5S)-6-methoxyhexane-1,2,5-triol
CID 130342864
N-butan-2-yl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 114163587
N-butyl-2-[(3-hydroxy-4-methoxybutyl)amino]propanamide
CID 106246633
2-[(3-hydroxy-4-methoxybutyl)amino]-N-pentan-2-ylpropanamide
CID 114163574

Frequently Asked Questions

What is the IUPAC name of 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
The IUPAC name of 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol (CID 106244957) is 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol.
What is the SMILES notation for 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
The canonical SMILES for 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol is COCC(O)CCNC(C)C(C)(C)O.
What is the InChIKey of 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
The InChIKey is SZIBYJYURZMCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO3/c1-8(10(2,3)13)11-6-5-9(12)7-14-4/h8-9,11-13H,5-7H2,1-4H3.
What are the key properties of 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol?
3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol has a molecular weight of 205.30 g/mol, XLogP of 0.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-hydroxy-4-methoxybutyl)amino]-2-methylbutan-2-ol is sourced from PubChem (CID 106244957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).