5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol

C11H25NO2 — CID 106122501

IUPAC5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
SMILESCOC(C)(C)CCNCCCC(C)O
InChIInChI=1S/C11H25NO2/c1-10(13)6-5-8-12-9-7-11(2,3)14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyCWLLOYMCYRVMFG-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds8

About 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol

5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol (PubChem CID 106122501) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol.

Molecular Properties

Compound Name5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
PubChem CID106122501
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
SMILESCOC(C)(C)CCNCCCC(C)O
InChIInChI=1S/C11H25NO2/c1-10(13)6-5-8-12-9-7-11(2,3)14-4/h10,12-13H,5-9H2,1-4H3
InChIKeyCWLLOYMCYRVMFG-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methoxy-3-methylbutyl)-4-methylpentan-1-amine
CID 103033199
5-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
5-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106130922
N-(3-methoxy-3-methylbutyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 103033282
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
N-(3-methoxy-3-methylbutyl)-N',N'-dimethylpropane-1,3-diamine
CID 103020038
N-(5-chloropentyl)-3-methoxy-3-methylbutan-1-amine
CID 107319870
N-(3-ethoxypropyl)-3-methoxy-3-methylbutan-1-amine
CID 103033107
3-methoxy-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 103019869
3-methoxy-N-[3-(2-methoxyethoxy)propyl]-3-methylbutan-1-amine
CID 106675103
3-methoxy-3-methyl-N-(3-propoxypropyl)butan-1-amine
CID 103033527
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822

Frequently Asked Questions

What is the IUPAC name of 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol?
The IUPAC name of 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol (CID 106122501) is 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol.
What is the SMILES notation for 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol?
The canonical SMILES for 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol is COC(C)(C)CCNCCCC(C)O.
What is the InChIKey of 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol?
The InChIKey is CWLLOYMCYRVMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-10(13)6-5-8-12-9-7-11(2,3)14-4/h10,12-13H,5-9H2,1-4H3.
What are the key properties of 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol?
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol is sourced from PubChem (CID 106122501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).