3-(butylamino)propyl formate

C8H17NO2 — CID 87316464

IUPAC3-(butylamino)propyl formate
SMILESCCCCNCCCOC=O
InChIInChI=1S/C8H17NO2/c1-2-3-5-9-6-4-7-11-8-10/h8-9H,2-7H2,1H3
InChIKeyHQARDWHCFCTEBJ-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.94
Rot. Bonds8

About 3-(butylamino)propyl formate

3-(butylamino)propyl formate (PubChem CID 87316464) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(butylamino)propyl formate.

Molecular Properties

Compound Name3-(butylamino)propyl formate
PubChem CID87316464
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(butylamino)propyl formate
SMILESCCCCNCCCOC=O
InChIInChI=1S/C8H17NO2/c1-2-3-5-9-6-4-7-11-8-10/h8-9H,2-7H2,1H3
InChIKeyHQARDWHCFCTEBJ-UHFFFAOYSA-N
XLogP0.94
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.94
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

butylaminomethyl formate
CID 174618509
hexacosyl formate
CID 87446465
potassium;hydride;pentyl formate
CID 173073840
decyl formate;hydrochloride
CID 174405844
CID 162323226
CID 162323226
3-(2,2-dimethylpropylamino)propyl formate
CID 87316456
[3-(butylamino)-3-oxopropyl] formate
CID 57094792
benzene;butyl formate;formic acid
CID 174830214
N-butylbutan-1-amine;hydrochloride
CID 3083954
3-(butylamino)propyl acetate
CID 82532357
potassium;N-butylbutan-1-amine;hydride
CID 174461538
4-hydroxyoctyl formate
CID 134918328

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)propyl formate?
The IUPAC name of 3-(butylamino)propyl formate (CID 87316464) is 3-(butylamino)propyl formate.
What is the SMILES notation for 3-(butylamino)propyl formate?
The canonical SMILES for 3-(butylamino)propyl formate is CCCCNCCCOC=O.
What is the InChIKey of 3-(butylamino)propyl formate?
The InChIKey is HQARDWHCFCTEBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-5-9-6-4-7-11-8-10/h8-9H,2-7H2,1H3.
What are the key properties of 3-(butylamino)propyl formate?
3-(butylamino)propyl formate has a molecular weight of 159.23 g/mol, XLogP of 0.94, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)propyl formate is sourced from PubChem (CID 87316464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).