1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol

C13H30N2O2 — CID 155034840

IUPAC1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol
SMILESCCOCCCCNC(O)CN(C)CC(C)C
InChIInChI=1S/C13H30N2O2/c1-5-17-9-7-6-8-14-13(16)11-15(4)10-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyGKXPWGJSHFLCMQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.30
Rot. Bonds11

About 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol

1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol (PubChem CID 155034840) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol
PubChem CID155034840
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol
SMILESCCOCCCCNC(O)CN(C)CC(C)C
InChIInChI=1S/C13H30N2O2/c1-5-17-9-7-6-8-14-13(16)11-15(4)10-12(2)3/h12-14,16H,5-11H2,1-4H3
InChIKeyGKXPWGJSHFLCMQ-UHFFFAOYSA-N
XLogP1.30
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-N-(4-ethoxybutyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109664
2-N-(3-ethoxypropyl)-1-N-ethyl-1-N-methylpropane-1,2-diamine
CID 103109645
4-[2-(2-ethoxyethoxy)ethoxy]-N-propan-2-ylbutan-1-amine
CID 146693023
1-(3-ethoxypropylamino)-4-(methylamino)pentan-1-ol
CID 118974808
4-ethoxy-N-(2-methylpropyl)butan-1-amine
CID 60957098
2-(3-ethoxypropylamino)-N,N-dimethylpropanamide
CID 43086240
2-N-(3-ethoxypropyl)-1-N,1-N-diethylpropane-1,2-diamine
CID 65175830
1-ethoxy-17-methyloctadecane
CID 91042875
N-(3-ethoxypropyl)butan-2-amine
CID 43196213
2-N-ethyl-1-N-methyl-1-N-(2-methylpropyl)butane-1,2-diamine
CID 62040549
4-pentoxy-N-propan-2-ylbutan-1-amine
CID 62449715
1-(3-octoxypropylamino)ethanol
CID 88783287

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol?
The IUPAC name of 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol (CID 155034840) is 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol?
The canonical SMILES for 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol is CCOCCCCNC(O)CN(C)CC(C)C.
What is the InChIKey of 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol?
The InChIKey is GKXPWGJSHFLCMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-5-17-9-7-6-8-14-13(16)11-15(4)10-12(2)3/h12-14,16H,5-11H2,1-4H3.
What are the key properties of 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol?
1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol has a molecular weight of 246.39 g/mol, XLogP of 1.30, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethoxybutylamino)-2-[methyl(2-methylpropyl)amino]ethanol is sourced from PubChem (CID 155034840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).