2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol

C15H31NO4 — CID 106810706

IUPAC2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
SMILESCCC(CO)(CCCOCCOCCOC)NC1CC1
InChIInChI=1S/C15H31NO4/c1-3-15(13-17,16-14-5-6-14)7-4-8-19-11-12-20-10-9-18-2/h14,16-17H,3-13H2,1-2H3
InChIKeyHHLXEJWDHOEGKQ-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.34
Rot. Bonds14

About 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol

2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol (PubChem CID 106810706) has the molecular formula C15H31NO4 and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
PubChem CID106810706
Molecular FormulaC15H31NO4
Molecular Weight289.42 g/mol
Exact Mass289.23
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol
SMILESCCC(CO)(CCCOCCOCCOC)NC1CC1
InChIInChI=1S/C15H31NO4/c1-3-15(13-17,16-14-5-6-14)7-4-8-19-11-12-20-10-9-18-2/h14,16-17H,3-13H2,1-2H3
InChIKeyHHLXEJWDHOEGKQ-UHFFFAOYSA-N
XLogP1.34
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810677
2-(cyclopropylamino)-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810635
2-(cyclopropylamino)-2-ethyl-5-(4-fluorophenoxy)pentan-1-ol
CID 106810519
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269
2-(cyclopropylamino)-2-ethyl-5-[methyl(pentyl)amino]pentan-1-ol
CID 106809226
2-(cyclopentylamino)-2-ethylpropane-1,3-diol
CID 115924300
2-ethyl-5-(2-methoxyethoxy)-2-methylpentan-1-ol
CID 103415225
2-(cyclopropylamino)-2-ethyl-5-(3-methoxypiperidin-1-yl)pentan-1-ol
CID 106809926
5-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)-2-ethylpentan-1-ol
CID 106809250
5-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methyl-2-(methylamino)pentan-1-ol
CID 104567691
methyl 2-(cyclopropylamino)-4-[3-(2-methoxyethoxy)propoxy]-2-methylbutanoate
CID 103404585
2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol
CID 106810584

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol (CID 106810706) is 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol is CCC(CO)(CCCOCCOCCOC)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol?
The InChIKey is HHLXEJWDHOEGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO4/c1-3-15(13-17,16-14-5-6-14)7-4-8-19-11-12-20-10-9-18-2/h14,16-17H,3-13H2,1-2H3.
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol?
2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol has a molecular weight of 289.42 g/mol, XLogP of 1.34, 14 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-[2-(2-methoxyethoxy)ethoxy]pentan-1-ol is sourced from PubChem (CID 106810706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).