5-(4-methoxybutylamino)-2-methylpentan-1-ol

C11H25NO2 — CID 106160167

IUPAC5-(4-methoxybutylamino)-2-methylpentan-1-ol
SMILESCOCCCCNCCCC(C)CO
InChIInChI=1S/C11H25NO2/c1-11(10-13)6-5-8-12-7-3-4-9-14-2/h11-13H,3-10H2,1-2H3
InChIKeyNUCJIYUDRGALHH-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.41
Rot. Bonds10

About 5-(4-methoxybutylamino)-2-methylpentan-1-ol

5-(4-methoxybutylamino)-2-methylpentan-1-ol (PubChem CID 106160167) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-(4-methoxybutylamino)-2-methylpentan-1-ol.

Molecular Properties

Compound Name5-(4-methoxybutylamino)-2-methylpentan-1-ol
PubChem CID106160167
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-(4-methoxybutylamino)-2-methylpentan-1-ol
SMILESCOCCCCNCCCC(C)CO
InChIInChI=1S/C11H25NO2/c1-11(10-13)6-5-8-12-7-3-4-9-14-2/h11-13H,3-10H2,1-2H3
InChIKeyNUCJIYUDRGALHH-UHFFFAOYSA-N
XLogP1.41
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.41
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

3-(4-methoxybutylamino)-2-methylpropan-1-ol
CID 104647456
5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
CID 106160068
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909
5-(4-methoxybutan-2-ylamino)-2-methylpentan-1-ol
CID 103905392
5-(butylamino)-2-methylpentan-1-ol
CID 106158336
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
N-(3-methoxypropyl)-5-methylhexan-1-amine
CID 115325588
5-(hept-6-enylamino)-2-methylpentan-1-ol
CID 106160063
methyl 3-[(5-hydroxy-4-methylpentyl)amino]-2-methylpropanoate
CID 106160216
N-(2-methoxyethyl)-5-methylhexan-1-amine
CID 62603286
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxybutylamino)-2-methylpentan-1-ol?
The IUPAC name of 5-(4-methoxybutylamino)-2-methylpentan-1-ol (CID 106160167) is 5-(4-methoxybutylamino)-2-methylpentan-1-ol.
What is the SMILES notation for 5-(4-methoxybutylamino)-2-methylpentan-1-ol?
The canonical SMILES for 5-(4-methoxybutylamino)-2-methylpentan-1-ol is COCCCCNCCCC(C)CO.
What is the InChIKey of 5-(4-methoxybutylamino)-2-methylpentan-1-ol?
The InChIKey is NUCJIYUDRGALHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-11(10-13)6-5-8-12-7-3-4-9-14-2/h11-13H,3-10H2,1-2H3.
What are the key properties of 5-(4-methoxybutylamino)-2-methylpentan-1-ol?
5-(4-methoxybutylamino)-2-methylpentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.41, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxybutylamino)-2-methylpentan-1-ol is sourced from PubChem (CID 106160167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).