3-(butylamino)propyl acetate

C9H19NO2 — CID 82532357

IUPAC3-(butylamino)propyl acetate
SMILESCCCCNCCCOC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-4-6-10-7-5-8-12-9(2)11/h10H,3-8H2,1-2H3
InChIKeyAZFYIDJCUMQECH-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.33
Rot. Bonds7

About 3-(butylamino)propyl acetate

3-(butylamino)propyl acetate (PubChem CID 82532357) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-(butylamino)propyl acetate.

Molecular Properties

Compound Name3-(butylamino)propyl acetate
PubChem CID82532357
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-(butylamino)propyl acetate
SMILESCCCCNCCCOC(C)=O
InChIInChI=1S/C9H19NO2/c1-3-4-6-10-7-5-8-12-9(2)11/h10H,3-8H2,1-2H3
InChIKeyAZFYIDJCUMQECH-UHFFFAOYSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;2-[2-(butylamino)ethylamino]ethyl acetate
CID 162327339
3-(ethylamino)propyl acetate
CID 88999125
3-(butylamino)propyl propanoate
CID 82532356
CID 159328585
CID 159328585
acetamide;N-butylbutan-1-amine
CID 172792447
CID 159701402
CID 159701402
CID 87429945
CID 87429945
acetic acid;butyl acetate
CID 158450873
2-acetyloxyethyl acetate;hexane
CID 137406148
magnesium;hydride;pentyl acetate
CID 174803356
azane;tetradecyl acetate
CID 87432458
CID 162323537
CID 162323537

Frequently Asked Questions

What is the IUPAC name of 3-(butylamino)propyl acetate?
The IUPAC name of 3-(butylamino)propyl acetate (CID 82532357) is 3-(butylamino)propyl acetate.
What is the SMILES notation for 3-(butylamino)propyl acetate?
The canonical SMILES for 3-(butylamino)propyl acetate is CCCCNCCCOC(C)=O.
What is the InChIKey of 3-(butylamino)propyl acetate?
The InChIKey is AZFYIDJCUMQECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-3-4-6-10-7-5-8-12-9(2)11/h10H,3-8H2,1-2H3.
What are the key properties of 3-(butylamino)propyl acetate?
3-(butylamino)propyl acetate has a molecular weight of 173.26 g/mol, XLogP of 1.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butylamino)propyl acetate is sourced from PubChem (CID 82532357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).