4-aminopentyl formate

C6H13NO2 — CID 126717031

IUPAC4-aminopentyl formate
SMILESCC(N)CCCOC=O
InChIInChI=1S/C6H13NO2/c1-6(7)3-2-4-9-5-8/h5-6H,2-4,7H2,1H3
InChIKeySQPRCLPGDANKIU-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.29
Rot. Bonds5

About 4-aminopentyl formate

4-aminopentyl formate (PubChem CID 126717031) has the molecular formula C6H13NO2 and a molecular weight of 131.18 g/mol. Its IUPAC name is 4-aminopentyl formate.

Molecular Properties

Compound Name4-aminopentyl formate
PubChem CID126717031
Molecular FormulaC6H13NO2
Molecular Weight131.18 g/mol
Exact Mass131.09
IUPAC Name4-aminopentyl formate
SMILESCC(N)CCCOC=O
InChIInChI=1S/C6H13NO2/c1-6(7)3-2-4-9-5-8/h5-6H,2-4,7H2,1H3
InChIKeySQPRCLPGDANKIU-UHFFFAOYSA-N
XLogP0.29
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 ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-aminopentyl formate?
The IUPAC name of 4-aminopentyl formate (CID 126717031) is 4-aminopentyl formate.
What is the SMILES notation for 4-aminopentyl formate?
The canonical SMILES for 4-aminopentyl formate is CC(N)CCCOC=O.
What is the InChIKey of 4-aminopentyl formate?
The InChIKey is SQPRCLPGDANKIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(7)3-2-4-9-5-8/h5-6H,2-4,7H2,1H3.
What are the key properties of 4-aminopentyl formate?
4-aminopentyl formate has a molecular weight of 131.18 g/mol, XLogP of 0.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-aminopentyl formate is sourced from PubChem (CID 126717031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).