1-aminopentyl formate

C6H13NO2 — CID 57047704

IUPAC1-aminopentyl formate
SMILESCCCCC(N)OC=O
InChIInChI=1S/C6H13NO2/c1-2-3-4-6(7)9-5-8/h5-6H,2-4,7H2,1H3
InChIKeyYMRGKGIXXILLOI-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.63
Rot. Bonds5

About 1-aminopentyl formate

1-aminopentyl formate (PubChem CID 57047704) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 1-aminopentyl formate.

Molecular Properties

Compound Name1-aminopentyl formate
PubChem CID57047704
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name1-aminopentyl formate
SMILESCCCCC(N)OC=O
InChIInChI=1S/C6H13NO2/c1-2-3-4-6(7)9-5-8/h5-6H,2-4,7H2,1H3
InChIKeyYMRGKGIXXILLOI-UHFFFAOYSA-N
XLogP0.63
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminooctyl formate
CID 174824755
octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
1-pentoxypentyl formate
CID 21266274
oct-1-en-4-yl formate
CID 87501677
[(1R)-1,4-diamino-3,3-dideuteriobutyl] formate
CID 171725058
1-hydroxyoctyl formate
CID 54104225
2-(diaminomethyl)hexanal
CID 174437838
1-phenylpentyl formate
CID 54289292
1-azidooctadecyl formate
CID 18522841
3-methylundecan-4-yl formate
CID 23187921
dodecyl 2-formyloxypentanoate
CID 90948969

Frequently Asked Questions

What is the IUPAC name of 1-aminopentyl formate?
The IUPAC name of 1-aminopentyl formate (CID 57047704) is 1-aminopentyl formate.
What is the SMILES notation for 1-aminopentyl formate?
The canonical SMILES for 1-aminopentyl formate is CCCCC(N)OC=O.
What is the InChIKey of 1-aminopentyl formate?
The InChIKey is YMRGKGIXXILLOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-2-3-4-6(7)9-5-8/h5-6H,2-4,7H2,1H3.
What are the key properties of 1-aminopentyl formate?
1-aminopentyl formate has a molecular weight of 131.18 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopentyl formate is sourced from PubChem (CID 57047704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).