2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol

C13H27NO2 — CID 106206804

IUPAC2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOCCC1CCC1
InChIInChI=1S/C13H27NO2/c1-2-13(14,11-15)8-4-9-16-10-7-12-5-3-6-12/h12,15H,2-11,14H2,1H3
InChIKeySYEMGJDOJXYGTN-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.07
Rot. Bonds9

About 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol

2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol (PubChem CID 106206804) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol.

Molecular Properties

Compound Name2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol
PubChem CID106206804
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol
SMILESCCC(N)(CO)CCCOCCC1CCC1
InChIInChI=1S/C13H27NO2/c1-2-13(14,11-15)8-4-9-16-10-7-12-5-3-6-12/h12,15H,2-11,14H2,1H3
InChIKeySYEMGJDOJXYGTN-UHFFFAOYSA-N
XLogP2.07
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.07
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

2-amino-5-(cyclopentylmethoxy)-2-ethylpentan-1-ol
CID 106810639
2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol
CID 106810758
2-amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810676
6-(2-cyclobutylethoxy)-2-(ethylamino)-2-methylhexan-1-ol
CID 106206819
3-(2-cyclopentylethoxy)propan-1-ol
CID 174164261
2-amino-6-(2-cyclobutylethoxy)-2-methylhexanoic acid
CID 106204685
6-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)hexan-1-ol
CID 106206844
3-ethyl-6-(2-methoxyethoxy)hexan-3-amine
CID 103414969
5-(2-cyclobutylethoxy)-2-methyl-2-(propan-2-ylamino)pentanamide
CID 106204688
2-amino-2-ethyl-5-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]pentan-1-ol
CID 106810648
2-amino-3-cyclobutyl-2-(cyclobutylmethyl)propan-1-ol
CID 144726385
2-amino-2-ethyl-5-(3-ethylpyrrolidin-1-yl)pentan-1-ol
CID 106809852

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol?
The IUPAC name of 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol (CID 106206804) is 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol.
What is the SMILES notation for 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol?
The canonical SMILES for 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol is CCC(N)(CO)CCCOCCC1CCC1.
What is the InChIKey of 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol?
The InChIKey is SYEMGJDOJXYGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-2-13(14,11-15)8-4-9-16-10-7-12-5-3-6-12/h12,15H,2-11,14H2,1H3.
What are the key properties of 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol?
2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol has a molecular weight of 229.36 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-cyclobutylethoxy)-2-ethylpentan-1-ol is sourced from PubChem (CID 106206804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).