2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol

C13H29NO3 — CID 106810758

IUPAC2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol
SMILESCCC(N)(CO)CCCOCCC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-5-13(14,11-15)7-6-9-17-10-8-12(2,3)16-4/h15H,5-11,14H2,1-4H3
InChIKeyZEWOIROYNXOGIE-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.70
Rot. Bonds10

About 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol

2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol (PubChem CID 106810758) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol.

Molecular Properties

Compound Name2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol
PubChem CID106810758
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol
SMILESCCC(N)(CO)CCCOCCC(C)(C)OC
InChIInChI=1S/C13H29NO3/c1-5-13(14,11-15)7-6-9-17-10-8-12(2,3)16-4/h15H,5-11,14H2,1-4H3
InChIKeyZEWOIROYNXOGIE-UHFFFAOYSA-N
XLogP1.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.70
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-Amino-2-ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-ol
CID 106810409
2-Amino-2-ethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810634
2-Amino-5-(2,2-difluoroethoxy)-2-ethylpentan-1-ol
CID 106810676
2-Amino-2-ethyl-5-(4,4,4-trifluorobutoxy)pentan-1-ol
CID 106810681
2-Amino-2-ethyl-5-(3,3,3-trifluoropropoxy)pentan-1-ol
CID 106810687
2-Amino-2-ethyl-5-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)pentan-1-ol
CID 106810715
2-Amino-2-ethylpentane-1,5-diol
CID 87203842
4-Amino-1-ethoxy-3,4-diethyl-2,2-dimethylhexan-3-ol
CID 87980883
3-Amino-6-(3-hydroxypropoxy)-3-methylhexan-1-ol
CID 90035353
2-Amino-4-methyl-2-(3-methylpentan-3-yloxymethyl)pentan-1-ol
CID 137472078
4-(3-Amino-2,3-dimethylhexan-2-yl)oxy-2-methylbutan-2-ol
CID 167146431
2-Amino-2-methyl-5-(2-methylbutan-2-yloxy)pentan-1-ol
CID 64802128

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol?
The IUPAC name of 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol (CID 106810758) is 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol.
What is the SMILES notation for 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol?
The canonical SMILES for 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol is CCC(N)(CO)CCCOCCC(C)(C)OC.
What is the InChIKey of 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol?
The InChIKey is ZEWOIROYNXOGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-5-13(14,11-15)7-6-9-17-10-8-12(2,3)16-4/h15H,5-11,14H2,1-4H3.
What are the key properties of 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol?
2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol has a molecular weight of 247.38 g/mol, XLogP of 1.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-ethyl-5-(3-methoxy-3-methylbutoxy)pentan-1-ol is sourced from PubChem (CID 106810758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).