3-(3-methoxypropylamino)-3-methylpentan-1-ol

C10H23NO2 — CID 103950077

IUPAC3-(3-methoxypropylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCCCOC
InChIInChI=1S/C10H23NO2/c1-4-10(2,6-8-12)11-7-5-9-13-3/h11-12H,4-9H2,1-3H3
InChIKeyRDDKLJCKMIFYHL-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.16
Rot. Bonds8

About 3-(3-methoxypropylamino)-3-methylpentan-1-ol

3-(3-methoxypropylamino)-3-methylpentan-1-ol (PubChem CID 103950077) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-(3-methoxypropylamino)-3-methylpentan-1-ol.

Molecular Properties

Compound Name3-(3-methoxypropylamino)-3-methylpentan-1-ol
PubChem CID103950077
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name3-(3-methoxypropylamino)-3-methylpentan-1-ol
SMILESCCC(C)(CCO)NCCCOC
InChIInChI=1S/C10H23NO2/c1-4-10(2,6-8-12)11-7-5-9-13-3/h11-12H,4-9H2,1-3H3
InChIKeyRDDKLJCKMIFYHL-UHFFFAOYSA-N
XLogP1.16
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.16
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

2-[(1-hydroxy-3-methylpentan-3-yl)amino]-N-(3-methoxypropyl)acetamide
CID 114154108
3-methyl-3-(4,4,4-trifluorobutylamino)pentan-1-ol
CID 106175291
1-chloro-N-(4-methoxybutyl)-2-methylbutan-2-amine
CID 104649741
3-methyl-3-[[5-methyl-5-[[(Z)-4-[[3-methyl-7-(3-methylpentan-3-ylamino)heptan-3-yl]amino]but-2-enyl]amino]heptyl]amino]pentan-1-ol
CID 89345127
3-methyl-3-(octylamino)pentane-1,5-diol
CID 54557477
methyl 2-[(1-hydroxy-3-methylpentan-3-yl)amino]acetate
CID 103774810
3-(3-hydroxybutylamino)-3-methylpentan-1-ol
CID 106175110
3-[(1-hydroxy-3-methylpentan-3-yl)amino]propanoic acid
CID 106175375
3-(2-methoxypropylamino)-3-methylpentan-1-ol
CID 106175766
4-[2-[(1-hydroxy-3-methylpentan-3-yl)amino]ethoxy]benzoic acid
CID 106178163
2-(ethylamino)-5-methoxy-2-methylpentan-1-ol
CID 64804916
4-methoxy-2-(3-methoxypropylamino)-2-methylbutanoic acid
CID 114998801

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropylamino)-3-methylpentan-1-ol?
The IUPAC name of 3-(3-methoxypropylamino)-3-methylpentan-1-ol (CID 103950077) is 3-(3-methoxypropylamino)-3-methylpentan-1-ol.
What is the SMILES notation for 3-(3-methoxypropylamino)-3-methylpentan-1-ol?
The canonical SMILES for 3-(3-methoxypropylamino)-3-methylpentan-1-ol is CCC(C)(CCO)NCCCOC.
What is the InChIKey of 3-(3-methoxypropylamino)-3-methylpentan-1-ol?
The InChIKey is RDDKLJCKMIFYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-10(2,6-8-12)11-7-5-9-13-3/h11-12H,4-9H2,1-3H3.
What are the key properties of 3-(3-methoxypropylamino)-3-methylpentan-1-ol?
3-(3-methoxypropylamino)-3-methylpentan-1-ol has a molecular weight of 189.30 g/mol, XLogP of 1.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropylamino)-3-methylpentan-1-ol is sourced from PubChem (CID 103950077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).