tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate

C12H26N2O3 — CID 167219816

IUPACtert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
SMILESCCOC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-7-16-10(3)14-9(2)8-13-11(15)17-12(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyGGOHAOSXYZORFE-UHFFFAOYSA-N
MW246.35 g/mol
LogP1.87
Rot. Bonds6

About tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate

tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate (PubChem CID 167219816) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
PubChem CID167219816
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate
SMILESCCOC(C)NC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-7-16-10(3)14-9(2)8-13-11(15)17-12(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,13,15)
InChIKeyGGOHAOSXYZORFE-UHFFFAOYSA-N
XLogP1.87
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965
tert-butyl N-[2-(heptan-4-ylamino)propyl]carbamate
CID 107248426
tert-butyl N-[2-[[(2S)-1-hydroxybutan-2-yl]amino]propyl]carbamate
CID 103391216
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(4-hydroxypentan-2-ylamino)propyl]carbamate
CID 103390810
tert-butyl N-[2-(1-hydroxypentan-3-ylamino)propyl]carbamate
CID 103391068
tert-butyl N-[2-[(1-hydroxy-4-methylpentan-2-yl)amino]propyl]carbamate
CID 103389494
tert-butyl N-[2-(pent-4-en-2-ylamino)propyl]carbamate
CID 103390957
tert-butyl N-[2-(octan-4-ylamino)propyl]carbamate
CID 106022993
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[(2R)-3-hydroxy-2,3-dimethylbutyl]carbamate
CID 87400882
tert-butyl N-[2-(4-methylsulfanylbutan-2-ylamino)propyl]carbamate
CID 103390979

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate (CID 167219816) is tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate is CCOC(C)NC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate?
The InChIKey is GGOHAOSXYZORFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-7-16-10(3)14-9(2)8-13-11(15)17-12(4,5)6/h9-10,14H,7-8H2,1-6H3,(H,13,15).
What are the key properties of tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate?
tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate has a molecular weight of 246.35 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-ethoxyethylamino)propyl]carbamate is sourced from PubChem (CID 167219816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).