3-butoxy-2-methyl-2-(methylamino)propan-1-ol

C9H21NO2 — CID 64807504

IUPAC3-butoxy-2-methyl-2-(methylamino)propan-1-ol
SMILESCCCCOCC(C)(CO)NC
InChIInChI=1S/C9H21NO2/c1-4-5-6-12-8-9(2,7-11)10-3/h10-11H,4-8H2,1-3H3
InChIKeyARNLQYOOZOJPQA-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds7

About 3-butoxy-2-methyl-2-(methylamino)propan-1-ol

3-butoxy-2-methyl-2-(methylamino)propan-1-ol (PubChem CID 64807504) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 3-butoxy-2-methyl-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-butoxy-2-methyl-2-(methylamino)propan-1-ol
PubChem CID64807504
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name3-butoxy-2-methyl-2-(methylamino)propan-1-ol
SMILESCCCCOCC(C)(CO)NC
InChIInChI=1S/C9H21NO2/c1-4-5-6-12-8-9(2,7-11)10-3/h10-11H,4-8H2,1-3H3
InChIKeyARNLQYOOZOJPQA-UHFFFAOYSA-N
XLogP0.77
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 ≤ 50.77
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

6-butoxy-2-methyl-2-(methylamino)hexan-1-ol
CID 64806053
3-(2-butoxyethoxy)-2-(ethylamino)-2-methylpropan-1-ol
CID 64803984
2-methyl-2-(methylamino)-4-octoxybutan-1-ol
CID 64811849
3-(2-methoxyethoxy)-2-methyl-2-(methylamino)propan-1-ol
CID 64803416
2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
CID 64807508
1-butoxybutane;N-methylmethanamine
CID 88830911
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)pentan-1-ol
CID 104567691
2-methyl-3-(4-methylpentoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64803162
2-(ethylamino)-6-hexoxy-2-methylhexan-1-ol
CID 64811638
(2R)-2-methyl-2-(methylamino)pentan-1-ol
CID 93471033
2-methyl-6-octoxy-2-(propylamino)hexan-1-ol
CID 64811651
methyl 3-butoxy-2,2-dimethylpropanoate
CID 79623220

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-methyl-2-(methylamino)propan-1-ol?
The IUPAC name of 3-butoxy-2-methyl-2-(methylamino)propan-1-ol (CID 64807504) is 3-butoxy-2-methyl-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-butoxy-2-methyl-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-butoxy-2-methyl-2-(methylamino)propan-1-ol is CCCCOCC(C)(CO)NC.
What is the InChIKey of 3-butoxy-2-methyl-2-(methylamino)propan-1-ol?
The InChIKey is ARNLQYOOZOJPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-4-5-6-12-8-9(2,7-11)10-3/h10-11H,4-8H2,1-3H3.
What are the key properties of 3-butoxy-2-methyl-2-(methylamino)propan-1-ol?
3-butoxy-2-methyl-2-(methylamino)propan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-methyl-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64807504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).