3-[3-(butylamino)propoxy]propyl N-butylcarbamate

C15H32N2O3 — CID 87800133

IUPAC3-[3-(butylamino)propoxy]propyl N-butylcarbamate
SMILESCCCCNCCCOCCCOC(=O)NCCCC
InChIInChI=1S/C15H32N2O3/c1-3-5-9-16-10-7-12-19-13-8-14-20-15(18)17-11-6-4-2/h16H,3-14H2,1-2H3,(H,17,18)
InChIKeyYQNQMQWQPZBRMS-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.70
Rot. Bonds14

About 3-[3-(butylamino)propoxy]propyl N-butylcarbamate

3-[3-(butylamino)propoxy]propyl N-butylcarbamate (PubChem CID 87800133) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is 3-[3-(butylamino)propoxy]propyl N-butylcarbamate.

Molecular Properties

Compound Name3-[3-(butylamino)propoxy]propyl N-butylcarbamate
PubChem CID87800133
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Name3-[3-(butylamino)propoxy]propyl N-butylcarbamate
SMILESCCCCNCCCOCCCOC(=O)NCCCC
InChIInChI=1S/C15H32N2O3/c1-3-5-9-16-10-7-12-19-13-8-14-20-15(18)17-11-6-4-2/h16H,3-14H2,1-2H3,(H,17,18)
InChIKeyYQNQMQWQPZBRMS-UHFFFAOYSA-N
XLogP2.70
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(propylamino)propyl N-propylcarbamate
CID 166733433
2-(propylamino)ethyl N-butylcarbamate
CID 79338122
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391
2-[2-(butylamino)ethoxy]ethyl N-ethylcarbamate
CID 87800399
2-hydroxyethyl N-(3-propoxypropyl)carbamate
CID 82947518
1-[3-[3-(butylamino)propoxy]propyl]-3-ethylurea
CID 22381487
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
2-[2-[2-(methylamino)ethoxy]ethoxy]ethyl N-butylcarbamate
CID 87800819

Frequently Asked Questions

What is the IUPAC name of 3-[3-(butylamino)propoxy]propyl N-butylcarbamate?
The IUPAC name of 3-[3-(butylamino)propoxy]propyl N-butylcarbamate (CID 87800133) is 3-[3-(butylamino)propoxy]propyl N-butylcarbamate.
What is the SMILES notation for 3-[3-(butylamino)propoxy]propyl N-butylcarbamate?
The canonical SMILES for 3-[3-(butylamino)propoxy]propyl N-butylcarbamate is CCCCNCCCOCCCOC(=O)NCCCC.
What is the InChIKey of 3-[3-(butylamino)propoxy]propyl N-butylcarbamate?
The InChIKey is YQNQMQWQPZBRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-3-5-9-16-10-7-12-19-13-8-14-20-15(18)17-11-6-4-2/h16H,3-14H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(butylamino)propoxy]propyl N-butylcarbamate?
3-[3-(butylamino)propoxy]propyl N-butylcarbamate has a molecular weight of 288.43 g/mol, XLogP of 2.70, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(butylamino)propoxy]propyl N-butylcarbamate is sourced from PubChem (CID 87800133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).