3-(propylamino)propyl N-propylcarbamate

C10H22N2O2 — CID 166733433

IUPAC3-(propylamino)propyl N-propylcarbamate
SMILESCCCNCCCOC(=O)NCCC
InChIInChI=1S/C10H22N2O2/c1-3-6-11-8-5-9-14-10(13)12-7-4-2/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyNBVJUJQWFRFFDM-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds8

About 3-(propylamino)propyl N-propylcarbamate

3-(propylamino)propyl N-propylcarbamate (PubChem CID 166733433) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 3-(propylamino)propyl N-propylcarbamate.

Molecular Properties

Compound Name3-(propylamino)propyl N-propylcarbamate
PubChem CID166733433
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name3-(propylamino)propyl N-propylcarbamate
SMILESCCCNCCCOC(=O)NCCC
InChIInChI=1S/C10H22N2O2/c1-3-6-11-8-5-9-14-10(13)12-7-4-2/h11H,3-9H2,1-2H3,(H,12,13)
InChIKeyNBVJUJQWFRFFDM-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

2-(propylamino)ethyl N-butylcarbamate
CID 79338122
octadecyl N-propylcarbamate
CID 175015942
3-[3-(butylamino)propoxy]propyl N-butylcarbamate
CID 87800133
2-hydroxyethyl N-propylcarbamate
CID 15560805
ethane;2-(heptylamino)ethyl N-butylcarbamate
CID 144831677
ethyl N-propylcarbamate
CID 12199
butyl N-butylcarbamate;molecular hydrogen
CID 142164887
undecyl N-octylcarbamate
CID 168918698
37-(octadecylcarbamoyloxy)heptatriacontyl N-octadecylcarbamate
CID 156779925
hexyl N-tetradecylcarbamate
CID 91739120
2-[3-(ethylamino)propylcarbamoyloxy]ethyl N-butylcarbamate
CID 58912391
5-(propylamino)pentyl carbamate
CID 175255674

Frequently Asked Questions

What is the IUPAC name of 3-(propylamino)propyl N-propylcarbamate?
The IUPAC name of 3-(propylamino)propyl N-propylcarbamate (CID 166733433) is 3-(propylamino)propyl N-propylcarbamate.
What is the SMILES notation for 3-(propylamino)propyl N-propylcarbamate?
The canonical SMILES for 3-(propylamino)propyl N-propylcarbamate is CCCNCCCOC(=O)NCCC.
What is the InChIKey of 3-(propylamino)propyl N-propylcarbamate?
The InChIKey is NBVJUJQWFRFFDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-3-6-11-8-5-9-14-10(13)12-7-4-2/h11H,3-9H2,1-2H3,(H,12,13).
What are the key properties of 3-(propylamino)propyl N-propylcarbamate?
3-(propylamino)propyl N-propylcarbamate 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 3-(propylamino)propyl N-propylcarbamate is sourced from PubChem (CID 166733433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).