3-(2-methoxyethylamino)-4-methylpentan-1-ol

C9H21NO2 — CID 104696168

IUPAC3-(2-methoxyethylamino)-4-methylpentan-1-ol
SMILESCOCCNC(CCO)C(C)C
InChIInChI=1S/C9H21NO2/c1-8(2)9(4-6-11)10-5-7-12-3/h8-11H,4-7H2,1-3H3
InChIKeyMHAHQNBQBATHDO-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.63
Rot. Bonds7

About 3-(2-methoxyethylamino)-4-methylpentan-1-ol

3-(2-methoxyethylamino)-4-methylpentan-1-ol (PubChem CID 104696168) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-(2-methoxyethylamino)-4-methylpentan-1-ol.

Molecular Properties

Compound Name3-(2-methoxyethylamino)-4-methylpentan-1-ol
PubChem CID104696168
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-(2-methoxyethylamino)-4-methylpentan-1-ol
SMILESCOCCNC(CCO)C(C)C
InChIInChI=1S/C9H21NO2/c1-8(2)9(4-6-11)10-5-7-12-3/h8-11H,4-7H2,1-3H3
InChIKeyMHAHQNBQBATHDO-UHFFFAOYSA-N
XLogP0.63
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

4-methyl-3-[2-(trifluoromethoxy)ethylamino]pentan-1-ol
CID 107470448
3-[(1-methoxy-4-methylpentan-3-yl)amino]propan-1-ol
CID 115705201
4-methyl-3-(3-methylbutylamino)pentan-1-ol
CID 104696133
methyl 4-[(1-hydroxy-4-methylpentan-3-yl)amino]butanoate
CID 104891908
3-(2-methoxyethylsulfamoylamino)-4-methylpentan-1-ol
CID 106353414
4-methyl-3-(2-phenoxyethylamino)pentan-1-ol
CID 104696106
3-(1-methoxypropan-2-ylamino)-4-methylpentan-1-ol
CID 115724585
3-[2-(tert-butylamino)ethylamino]-4-methylpentan-1-ol
CID 106348698
4-methyl-3-(nonylamino)pentan-1-ol
CID 106349451
2-(4-methoxybutylamino)-3-methylbutan-1-ol
CID 104647484
3-[(1-hydroxy-4-methylpentan-3-yl)amino]propanoic acid
CID 106349414
3-(but-3-ynylamino)-4-methylpentan-1-ol
CID 104892114

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylamino)-4-methylpentan-1-ol?
The IUPAC name of 3-(2-methoxyethylamino)-4-methylpentan-1-ol (CID 104696168) is 3-(2-methoxyethylamino)-4-methylpentan-1-ol.
What is the SMILES notation for 3-(2-methoxyethylamino)-4-methylpentan-1-ol?
The canonical SMILES for 3-(2-methoxyethylamino)-4-methylpentan-1-ol is COCCNC(CCO)C(C)C.
What is the InChIKey of 3-(2-methoxyethylamino)-4-methylpentan-1-ol?
The InChIKey is MHAHQNBQBATHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(2)9(4-6-11)10-5-7-12-3/h8-11H,4-7H2,1-3H3.
What are the key properties of 3-(2-methoxyethylamino)-4-methylpentan-1-ol?
3-(2-methoxyethylamino)-4-methylpentan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.63, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylamino)-4-methylpentan-1-ol is sourced from PubChem (CID 104696168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).