3-aminopropyl formate

C4H9NO2 — CID 54014224

IUPAC3-aminopropyl formate
SMILESNCCCOC=O
InChIInChI=1S/C4H9NO2/c5-2-1-3-7-4-6/h4H,1-3,5H2
InChIKeySWBSLALMMAOKOZ-UHFFFAOYSA-N
MW103.12 g/mol
LogP-0.49
Rot. Bonds4

About 3-aminopropyl formate

3-aminopropyl formate (PubChem CID 54014224) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 3-aminopropyl formate.

Molecular Properties

Compound Name3-aminopropyl formate
PubChem CID54014224
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name3-aminopropyl formate
SMILESNCCCOC=O
InChIInChI=1S/C4H9NO2/c5-2-1-3-7-4-6/h4H,1-3,5H2
InChIKeySWBSLALMMAOKOZ-UHFFFAOYSA-N
XLogP-0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 5-0.49
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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Related Compounds

3-Hydroxypropanaminium formate
CID 87192711
1-Aminopropyl formate
CID 21756414
1-Aminobutyl formate
CID 54260963
(3-Amino-2-methylpropyl) formate
CID 54333030
4-Aminobutyl formate
CID 54484676
3-(Methylamino)propyl formate
CID 55286195
3-Aminobutyl formate
CID 58098450
1,3-Diaminopropyl formate
CID 58276787
Formic acid;3-methoxypropan-1-amine
CID 87829742
(1-Amino-2-methylpropyl) formate
CID 90223964
[(1R)-1-amino-3-methylselanylpropyl] formate
CID 140583043
Oxetan-3-ylmethylazanium formate
CID 140644985

Frequently Asked Questions

What is the IUPAC name of 3-aminopropyl formate?
The IUPAC name of 3-aminopropyl formate (CID 54014224) is 3-aminopropyl formate.
What is the SMILES notation for 3-aminopropyl formate?
The canonical SMILES for 3-aminopropyl formate is NCCCOC=O.
What is the InChIKey of 3-aminopropyl formate?
The InChIKey is SWBSLALMMAOKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c5-2-1-3-7-4-6/h4H,1-3,5H2.
What are the key properties of 3-aminopropyl formate?
3-aminopropyl formate has a molecular weight of 103.12 g/mol, XLogP of -0.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminopropyl formate is sourced from PubChem (CID 54014224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).