3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol

C13H29NO3 — CID 106286221

IUPAC3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-4-12(5-2)13(15)11-14-7-6-8-17-10-9-16-3/h12-15H,4-11H2,1-3H3
InChIKeyRBUSVYXJXLQUNN-UHFFFAOYSA-N
MW247.38 g/mol
LogP1.43
Rot. Bonds12

About 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol

3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol (PubChem CID 106286221) has the molecular formula C13H29NO3 and a molecular weight of 247.38 g/mol. Its IUPAC name is 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
PubChem CID106286221
Molecular FormulaC13H29NO3
Molecular Weight247.38 g/mol
Exact Mass247.21
IUPAC Name3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
SMILESCCC(CC)C(O)CNCCCOCCOC
InChIInChI=1S/C13H29NO3/c1-4-12(5-2)13(15)11-14-7-6-8-17-10-9-16-3/h12-15H,4-11H2,1-3H3
InChIKeyRBUSVYXJXLQUNN-UHFFFAOYSA-N
XLogP1.43
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 51.43
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-ethyl-N-[3-(2-methoxyethoxy)propyl]butan-1-amine
CID 28720680
N-[3-[2-(2-methoxyethoxy)ethoxy]propyl]-2-methylpropan-1-amine
CID 104560835
1-(2-methoxyethoxy)-3-[4-(2-methoxyethoxy)butylamino]propan-2-ol
CID 106990471
2-ethoxy-N-[3-(2-methoxyethoxy)propyl]propan-1-amine
CID 103409669
2-[2-(2-methoxyethoxy)ethoxy]-N-(3-methoxypropyl)propan-1-amine
CID 104567209
methyl 2-chloro-3-[3-(2-methoxyethoxy)propylamino]propanoate
CID 103491945
4-(2-methoxyethoxy)-N-(2-methylpropyl)butan-1-amine
CID 62456720
3-chloro-N-[3-(2-methoxyethoxy)propyl]-2-methylpropan-1-amine
CID 103413068
2-[3-(2-methoxyethoxy)propylamino]-1-phenylethanol
CID 103603620
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
CID 106285645
N-[3-(2-methoxyethoxy)propyl]hexan-1-amine
CID 28880105
N-[3-(2-methoxyethoxy)propyl]pentan-3-amine
CID 28720947

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol?
The IUPAC name of 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol (CID 106286221) is 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol?
The canonical SMILES for 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol is CCC(CC)C(O)CNCCCOCCOC.
What is the InChIKey of 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol?
The InChIKey is RBUSVYXJXLQUNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3/c1-4-12(5-2)13(15)11-14-7-6-8-17-10-9-16-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol?
3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol has a molecular weight of 247.38 g/mol, XLogP of 1.43, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol is sourced from PubChem (CID 106286221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).