2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol

C15H31NO3 — CID 106450699

IUPAC2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
SMILESCC(C)COCCOCCCC(C)(CO)NC1CC1
InChIInChI=1S/C15H31NO3/c1-13(2)11-19-10-9-18-8-4-7-15(3,12-17)16-14-5-6-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyGZUHAJAPUXVIPU-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.96
Rot. Bonds12

About 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol

2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol (PubChem CID 106450699) has the molecular formula C15H31NO3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
PubChem CID106450699
Molecular FormulaC15H31NO3
Molecular Weight273.42 g/mol
Exact Mass273.23
IUPAC Name2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol
SMILESCC(C)COCCOCCCC(C)(CO)NC1CC1
InChIInChI=1S/C15H31NO3/c1-13(2)11-19-10-9-18-8-4-7-15(3,12-17)16-14-5-6-14/h13-14,16-17H,4-12H2,1-3H3
InChIKeyGZUHAJAPUXVIPU-UHFFFAOYSA-N
XLogP1.96
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylamino)-4-(2-ethoxyethoxy)-2-methylbutan-1-ol
CID 64802763
2-(cyclopropylamino)-2-methyl-5-(4-methylcyclohexyl)oxypentan-1-ol
CID 64805072
2-(cyclopropylamino)-5-(3,5-dimethylcyclohexyl)oxy-2-methylpentan-1-ol
CID 64808158
2-methyl-6-(2-methylpropoxy)-2-(propylamino)hexan-1-ol
CID 64802775
6-(cyclopentylmethoxy)-2-(cyclopropylamino)-2-methylhexan-1-ol
CID 66322521
2-(cyclopropylamino)-6-(3,5-dimethylcyclohexyl)oxy-2-methylhexan-1-ol
CID 64807530
5-[bis(2-methoxyethyl)amino]-2-(cyclopropylamino)-2-methylpentan-1-ol
CID 64827377
3-[2-(2-methylpropoxy)ethoxy]propan-1-ol
CID 106448655
2-methyl-2-[2-(2-methylpropoxy)ethylamino]propane-1,3-diol
CID 106452373
2-(cyclopropylamino)-2-methyl-6-[methyl(3-methylbutyl)amino]hexan-1-ol
CID 64826615
2-(cyclopropylamino)-2-methyl-5-(3-methylphenoxy)pentan-1-ol
CID 64802097
2-(cyclopropylamino)-2-methyl-4-[2-(2-methylpropoxy)ethoxy]pentanoic acid
CID 106448855

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol (CID 106450699) is 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol is CC(C)COCCOCCCC(C)(CO)NC1CC1.
What is the InChIKey of 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
The InChIKey is GZUHAJAPUXVIPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO3/c1-13(2)11-19-10-9-18-8-4-7-15(3,12-17)16-14-5-6-14/h13-14,16-17H,4-12H2,1-3H3.
What are the key properties of 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol?
2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol has a molecular weight of 273.42 g/mol, XLogP of 1.96, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-methyl-5-[2-(2-methylpropoxy)ethoxy]pentan-1-ol is sourced from PubChem (CID 106450699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).