2-(propylamino)ethyl N-butylcarbamate

C10H22N2O2 — CID 79338122

IUPAC2-(propylamino)ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCNCCC
InChIInChI=1S/C10H22N2O2/c1-3-5-7-12-10(13)14-9-8-11-6-4-2/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyVVAUURKDPPANMP-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds8

About 2-(propylamino)ethyl N-butylcarbamate

2-(propylamino)ethyl N-butylcarbamate (PubChem CID 79338122) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(propylamino)ethyl N-butylcarbamate.

Molecular Properties

Compound Name2-(propylamino)ethyl N-butylcarbamate
PubChem CID79338122
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name2-(propylamino)ethyl N-butylcarbamate
SMILESCCCCNC(=O)OCCNCCC
InChIInChI=1S/C10H22N2O2/c1-3-5-7-12-10(13)14-9-8-11-6-4-2/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyVVAUURKDPPANMP-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677
3-(propylamino)propyl N-propylcarbamate
CID 166733433
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391
2-trimethylsilylethyl N-butylcarbamate
CID 102394632
octadecyl N-propylcarbamate
CID 175015942
undecyl N-octylcarbamate
CID 168918698
propyl N-octylcarbamate
CID 18951449
propyl N-nonylcarbamate
CID 91709550
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120

Frequently Asked Questions

What is the IUPAC name of 2-(propylamino)ethyl N-butylcarbamate?
The IUPAC name of 2-(propylamino)ethyl N-butylcarbamate (CID 79338122) is 2-(propylamino)ethyl N-butylcarbamate.
What is the SMILES notation for 2-(propylamino)ethyl N-butylcarbamate?
The canonical SMILES for 2-(propylamino)ethyl N-butylcarbamate is CCCCNC(=O)OCCNCCC.
What is the InChIKey of 2-(propylamino)ethyl N-butylcarbamate?
The InChIKey is VVAUURKDPPANMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-5-7-12-10(13)14-9-8-11-6-4-2/h11H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 2-(propylamino)ethyl N-butylcarbamate?
2-(propylamino)ethyl N-butylcarbamate has a molecular weight of 202.30 g/mol, XLogP of 1.51, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylamino)ethyl N-butylcarbamate is sourced from PubChem (CID 79338122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).