2-(5-hydroxypentylamino)ethyl formate

C8H17NO3 — CID 138728311

IUPAC2-(5-hydroxypentylamino)ethyl formate
SMILESO=COCCNCCCCCO
InChIInChI=1S/C8H17NO3/c10-6-3-1-2-4-9-5-7-12-8-11/h8-10H,1-7H2
InChIKeyMHDUOFPJAIBRHQ-UHFFFAOYSA-N
MW175.23 g/mol
LogP-0.09
Rot. Bonds9

About 2-(5-hydroxypentylamino)ethyl formate

2-(5-hydroxypentylamino)ethyl formate (PubChem CID 138728311) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(5-hydroxypentylamino)ethyl formate.

Molecular Properties

Compound Name2-(5-hydroxypentylamino)ethyl formate
PubChem CID138728311
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(5-hydroxypentylamino)ethyl formate
SMILESO=COCCNCCCCCO
InChIInChI=1S/C8H17NO3/c10-6-3-1-2-4-9-5-7-12-8-11/h8-10H,1-7H2
InChIKeyMHDUOFPJAIBRHQ-UHFFFAOYSA-N
XLogP-0.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

12-(12-hydroxydodecylamino)dodecan-1-ol
CID 18618691
4-[3-[4-[3-(4-hydroxybutylamino)propylamino]butylamino]propylamino]butan-1-ol
CID 178169165
4-[2-(2-formyloxyethylamino)ethoxy]butyl formate
CID 157120336
6-[6-formyloxyhexyl(4-hydroxybutyl)amino]hexyl formate
CID 170071479
6-[2-(2-methoxyethoxy)ethylamino]hexan-1-ol
CID 107703333
2-(6-hydroxyhexylamino)ethylurea
CID 107703572
1-hydroxy-9-[2-[2-(9-hydroxynonylamino)ethylsulfanylsulfonyloxy]ethylamino]nonane
CID 21128263
8-(undecylamino)octan-1-ol
CID 139305047
2-(2-hydroxyethylamino)ethanol;pentane-1,5-diol
CID 158071262
5-(5-hydroxypentylamino)pentanoic acid
CID 107318223
5-(pent-4-enylamino)pentan-1-ol
CID 107317245
3-(butylamino)propyl formate
CID 87316464

Frequently Asked Questions

What is the IUPAC name of 2-(5-hydroxypentylamino)ethyl formate?
The IUPAC name of 2-(5-hydroxypentylamino)ethyl formate (CID 138728311) is 2-(5-hydroxypentylamino)ethyl formate.
What is the SMILES notation for 2-(5-hydroxypentylamino)ethyl formate?
The canonical SMILES for 2-(5-hydroxypentylamino)ethyl formate is O=COCCNCCCCCO.
What is the InChIKey of 2-(5-hydroxypentylamino)ethyl formate?
The InChIKey is MHDUOFPJAIBRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c10-6-3-1-2-4-9-5-7-12-8-11/h8-10H,1-7H2.
What are the key properties of 2-(5-hydroxypentylamino)ethyl formate?
2-(5-hydroxypentylamino)ethyl formate has a molecular weight of 175.23 g/mol, XLogP of -0.09, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-hydroxypentylamino)ethyl formate is sourced from PubChem (CID 138728311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).