3-(4-methoxybutylamino)-2-methylpropan-1-ol

C9H21NO2 — CID 104647456

IUPAC3-(4-methoxybutylamino)-2-methylpropan-1-ol
SMILESCOCCCCNCC(C)CO
InChIInChI=1S/C9H21NO2/c1-9(8-11)7-10-5-3-4-6-12-2/h9-11H,3-8H2,1-2H3
InChIKeyXQYCDVUJGBHWMW-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.63
Rot. Bonds8

About 3-(4-methoxybutylamino)-2-methylpropan-1-ol

3-(4-methoxybutylamino)-2-methylpropan-1-ol (PubChem CID 104647456) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(4-methoxybutylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(4-methoxybutylamino)-2-methylpropan-1-ol
PubChem CID104647456
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(4-methoxybutylamino)-2-methylpropan-1-ol
SMILESCOCCCCNCC(C)CO
InChIInChI=1S/C9H21NO2/c1-9(8-11)7-10-5-3-4-6-12-2/h9-11H,3-8H2,1-2H3
InChIKeyXQYCDVUJGBHWMW-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.63
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

5-(4-methoxybutylamino)-2-methylpentan-1-ol
CID 106160167
N-(5-methoxypentyl)-2-methylpentan-1-amine
CID 103920788
7-methoxy-N-(2-methylpropyl)heptan-1-amine
CID 104650031
3-(heptylamino)-2-methylpropan-1-ol
CID 65031965
5-[2-(3-methoxypropoxy)ethylamino]-2-methylpentan-1-ol
CID 106160068
(2R)-3-(2-aminoethylamino)-2-methylpropan-1-ol
CID 58592003
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
3-[(4-methoxybutylamino)methyl]hexan-1-ol
CID 106115290
6-[2-(3-methoxypropoxy)ethoxy]-N-(2-methylpropyl)hexan-1-amine
CID 103181280
2-[(5-hydroxy-4-methylpentyl)amino]-N-(3-methoxypropyl)acetamide
CID 114151909
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484

Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxybutylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(4-methoxybutylamino)-2-methylpropan-1-ol (CID 104647456) is 3-(4-methoxybutylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(4-methoxybutylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(4-methoxybutylamino)-2-methylpropan-1-ol is COCCCCNCC(C)CO.
What is the InChIKey of 3-(4-methoxybutylamino)-2-methylpropan-1-ol?
The InChIKey is XQYCDVUJGBHWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-9(8-11)7-10-5-3-4-6-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(4-methoxybutylamino)-2-methylpropan-1-ol?
3-(4-methoxybutylamino)-2-methylpropan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.63, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxybutylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 104647456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).