1-aminooctyl formate

C9H19NO2 — CID 174824755

IUPAC1-aminooctyl formate
SMILESCCCCCCCC(N)OC=O
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-6-7-9(10)12-8-11/h8-9H,2-7,10H2,1H3
InChIKeyZWCZXRJORPGYNK-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.80
Rot. Bonds8

About 1-aminooctyl formate

1-aminooctyl formate (PubChem CID 174824755) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 1-aminooctyl formate.

Molecular Properties

Compound Name1-aminooctyl formate
PubChem CID174824755
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name1-aminooctyl formate
SMILESCCCCCCCC(N)OC=O
InChIInChI=1S/C9H19NO2/c1-2-3-4-5-6-7-9(10)12-8-11/h8-9H,2-7,10H2,1H3
InChIKeyZWCZXRJORPGYNK-UHFFFAOYSA-N
XLogP1.80
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.80
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-aminopentyl formate
CID 57047704
octadecan-8-yl formate
CID 171797323
hexatriacontan-18-yl formate
CID 144696165
1-hydroxyoctyl formate
CID 54104225
O-(1-aminoheptyl)hydroxylamine
CID 89080647
3-methylundecan-4-yl formate
CID 23187921
1-azidooctadecyl formate
CID 18522841
2-aminooctanal
CID 54076326
2-methyldecyl formate
CID 174806813
bis(1-aminodecyl) oxalate
CID 174693733
propan-2-yl 2-formyloxydodecanoate
CID 54456763
pentacosan-7-amine
CID 88938409

Frequently Asked Questions

What is the IUPAC name of 1-aminooctyl formate?
The IUPAC name of 1-aminooctyl formate (CID 174824755) is 1-aminooctyl formate.
What is the SMILES notation for 1-aminooctyl formate?
The canonical SMILES for 1-aminooctyl formate is CCCCCCCC(N)OC=O.
What is the InChIKey of 1-aminooctyl formate?
The InChIKey is ZWCZXRJORPGYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-2-3-4-5-6-7-9(10)12-8-11/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-aminooctyl formate?
1-aminooctyl formate has a molecular weight of 173.26 g/mol, XLogP of 1.80, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooctyl formate is sourced from PubChem (CID 174824755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).