tert-butyl N-[2-(propylamino)ethyl]carbamate

C10H22N2O2 — CID 14925149

IUPACtert-butyl N-[2-(propylamino)ethyl]carbamate
SMILESCCCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-5-6-11-7-8-12-9(13)14-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyNYODQEVNDGLFRF-UHFFFAOYSA-N
MW202.30 g/mol
LogP1.51
Rot. Bonds5

About tert-butyl N-[2-(propylamino)ethyl]carbamate

tert-butyl N-[2-(propylamino)ethyl]carbamate (PubChem CID 14925149) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is tert-butyl N-[2-(propylamino)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(propylamino)ethyl]carbamate
PubChem CID14925149
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Nametert-butyl N-[2-(propylamino)ethyl]carbamate
SMILESCCCNCCNC(=O)OC(C)(C)C
InChIInChI=1S/C10H22N2O2/c1-5-6-11-7-8-12-9(13)14-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13)
InChIKeyNYODQEVNDGLFRF-UHFFFAOYSA-N
XLogP1.51
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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

tert-butyl N-[4-(propylamino)butyl]carbamate
CID 86071285
tert-butyl N-[2-(octadecylamino)ethyl]carbamate
CID 168851346
tert-butyl N-[2-[[2-oxo-2-(propylamino)ethyl]amino]ethyl]carbamate
CID 112688730
tert-butyl N-[3-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propylamino]propyl]carbamate
CID 10404463
tert-butyl N-[2-(2-azidoethylamino)ethyl]carbamate
CID 152561182
tert-butyl N-[2-(butanoylamino)ethyl]carbamate
CID 88931890
tert-butyl N-[2-(3-hydroxybutylamino)ethyl]carbamate
CID 115628927
tert-butyl N-[3-(decylamino)propyl]carbamate
CID 103821957
tert-butyl N-butylcarbamate;methane
CID 153346289
tert-butyl N-[6-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexylamino]hexyl]carbamate
CID 15570048
tert-butyl N-[2-(pent-3-ynylamino)ethyl]carbamate
CID 116643280
tert-butyl N-pentylcarbamate;bis(pentane)
CID 171066640

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(propylamino)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(propylamino)ethyl]carbamate (CID 14925149) is tert-butyl N-[2-(propylamino)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(propylamino)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(propylamino)ethyl]carbamate is CCCNCCNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(propylamino)ethyl]carbamate?
The InChIKey is NYODQEVNDGLFRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-5-6-11-7-8-12-9(13)14-10(2,3)4/h11H,5-8H2,1-4H3,(H,12,13).
What are the key properties of tert-butyl N-[2-(propylamino)ethyl]carbamate?
tert-butyl N-[2-(propylamino)ethyl]carbamate has a molecular weight of 202.30 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(propylamino)ethyl]carbamate is sourced from PubChem (CID 14925149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).