4-[methyl(2-propoxyethyl)amino]butan-2-ol

C10H23NO2 — CID 106456260

IUPAC4-[methyl(2-propoxyethyl)amino]butan-2-ol
SMILESCCCOCCN(C)CCC(C)O
InChIInChI=1S/C10H23NO2/c1-4-8-13-9-7-11(3)6-5-10(2)12/h10,12H,4-9H2,1-3H3
InChIKeyQTOJJGYXQJWATG-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.12
Rot. Bonds8

About 4-[methyl(2-propoxyethyl)amino]butan-2-ol

4-[methyl(2-propoxyethyl)amino]butan-2-ol (PubChem CID 106456260) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-[methyl(2-propoxyethyl)amino]butan-2-ol.

Molecular Properties

Compound Name4-[methyl(2-propoxyethyl)amino]butan-2-ol
PubChem CID106456260
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name4-[methyl(2-propoxyethyl)amino]butan-2-ol
SMILESCCCOCCN(C)CCC(C)O
InChIInChI=1S/C10H23NO2/c1-4-8-13-9-7-11(3)6-5-10(2)12/h10,12H,4-9H2,1-3H3
InChIKeyQTOJJGYXQJWATG-UHFFFAOYSA-N
XLogP1.12
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(2-propoxyethoxy)pentan-2-ol
CID 63686964
4-[2-aminoethyl(methyl)amino]butan-2-ol
CID 86811494
N,N'-dimethyl-N-pentyl-N'-[2-(2-propoxyethoxy)ethyl]ethane-1,2-diamine
CID 167513119
2-methoxy-N-methyl-N-[2-[2-(3-methylpentoxy)ethoxy]ethyl]ethanamine
CID 143398421
N'-methyl-N'-(2-propoxyethyl)-N-propylethane-1,2-diamine
CID 106453516
N,N-dimethyl-4-propoxybutan-2-amine
CID 57318185
N-ethyl-N-methyl-2-[2-[2-[2-[2-[2-(3-methylpentoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanamine
CID 176934271
4-[2-[2-(1-benzothiophen-7-yl)ethoxy]ethyl-methylamino]butan-2-ol
CID 71187935
1-[methyl-[2-(3-propoxypropoxy)ethyl]amino]pent-3-yn-2-ol
CID 174081464
3-[butyl(methyl)amino]propane-1,1-diol
CID 87637565
1-[2-ethoxyethyl(methyl)amino]pentan-2-ol
CID 81061715
4-[but-3-enyl(methyl)amino]butan-2-ol
CID 115665768

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(2-propoxyethyl)amino]butan-2-ol?
The IUPAC name of 4-[methyl(2-propoxyethyl)amino]butan-2-ol (CID 106456260) is 4-[methyl(2-propoxyethyl)amino]butan-2-ol.
What is the SMILES notation for 4-[methyl(2-propoxyethyl)amino]butan-2-ol?
The canonical SMILES for 4-[methyl(2-propoxyethyl)amino]butan-2-ol is CCCOCCN(C)CCC(C)O.
What is the InChIKey of 4-[methyl(2-propoxyethyl)amino]butan-2-ol?
The InChIKey is QTOJJGYXQJWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-8-13-9-7-11(3)6-5-10(2)12/h10,12H,4-9H2,1-3H3.
What are the key properties of 4-[methyl(2-propoxyethyl)amino]butan-2-ol?
4-[methyl(2-propoxyethyl)amino]butan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.12, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(2-propoxyethyl)amino]butan-2-ol is sourced from PubChem (CID 106456260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).