2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol

C17H37NO2 — CID 106810270

IUPAC2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
SMILESCCCCCCCOCCCC(CC)(CO)NC(C)C
InChIInChI=1S/C17H37NO2/c1-5-7-8-9-10-13-20-14-11-12-17(6-2,15-19)18-16(3)4/h16,18-19H,5-15H2,1-4H3
InChIKeyYYMKPTVDIXQXMB-UHFFFAOYSA-N
MW287.49 g/mol
LogP3.89
Rot. Bonds14

About 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol

2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol (PubChem CID 106810270) has the molecular formula C17H37NO2 and a molecular weight of 287.49 g/mol. Its IUPAC name is 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol.

Molecular Properties

Compound Name2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
PubChem CID106810270
Molecular FormulaC17H37NO2
Molecular Weight287.49 g/mol
Exact Mass287.28
IUPAC Name2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol
SMILESCCCCCCCOCCCC(CC)(CO)NC(C)C
InChIInChI=1S/C17H37NO2/c1-5-7-8-9-10-13-20-14-11-12-17(6-2,15-19)18-16(3)4/h16,18-19H,5-15H2,1-4H3
InChIKeyYYMKPTVDIXQXMB-UHFFFAOYSA-N
XLogP3.89
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.49
LogP ≤ 53.89
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-ethyl-2-(methylamino)-5-octoxypentan-1-ol
CID 106810250
2-ethyl-2-(methylamino)-5-pentoxypentan-1-ol
CID 106810584
5-hexoxy-2-methyl-2-(propan-2-ylamino)pentan-1-ol
CID 64811239
5-(cyclohexylmethoxy)-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810147
2-ethyl-5-(2-methylbutan-2-yloxy)-2-(propan-2-ylamino)pentan-1-ol
CID 106810300
5-butan-2-yloxy-2-ethyl-2-(propan-2-ylamino)pentan-1-ol
CID 106810597
2-methyl-3-pentoxy-2-(propan-2-ylamino)propan-1-ol
CID 64807508
2-ethyl-2-(propan-2-ylamino)-5-(1,1,1-trifluoropropan-2-yloxy)pentan-1-ol
CID 106810631
2-ethyl-2-(ethylamino)-5-(4-methylpentoxy)pentan-1-ol
CID 106810296
2-ethyl-2-(ethylamino)-5-(2-propan-2-yloxyethoxy)pentan-1-ol
CID 106810377
2-(cyclopropylamino)-2-ethyl-5-octan-2-yloxypentan-1-ol
CID 106810269
2-ethyl-5-[2-methoxyethyl(methyl)amino]-2-(propan-2-ylamino)pentan-1-ol
CID 106809549

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol?
The IUPAC name of 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol (CID 106810270) is 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol.
What is the SMILES notation for 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol?
The canonical SMILES for 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol is CCCCCCCOCCCC(CC)(CO)NC(C)C.
What is the InChIKey of 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol?
The InChIKey is YYMKPTVDIXQXMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H37NO2/c1-5-7-8-9-10-13-20-14-11-12-17(6-2,15-19)18-16(3)4/h16,18-19H,5-15H2,1-4H3.
What are the key properties of 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol?
2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol has a molecular weight of 287.49 g/mol, XLogP of 3.89, 14 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-heptoxy-2-(propan-2-ylamino)pentan-1-ol is sourced from PubChem (CID 106810270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).