tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate

C11H24N2O3 — CID 103386968

IUPACtert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
SMILESCOCCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-9(12-6-7-15-5)8-13-10(14)16-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyHXWIPAPWUCAMHF-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.14
Rot. Bonds6

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

tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate (PubChem CID 103386968) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
PubChem CID103386968
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Nametert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
SMILESCOCCNC(C)CNC(=O)OC(C)(C)C
InChIInChI=1S/C11H24N2O3/c1-9(12-6-7-15-5)8-13-10(14)16-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14)
InChIKeyHXWIPAPWUCAMHF-UHFFFAOYSA-N
XLogP1.14
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.14
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

tert-butyl N-[2-[[3-(2-methoxyethylamino)-3-oxopropyl]amino]propyl]carbamate
CID 103390878
tert-butyl N-[2-[[1-(2-methoxyethylamino)-1-oxopropan-2-yl]amino]propyl]carbamate
CID 103390858
tert-butyl N-[2-[2-(3-methylbutoxy)ethylamino]propyl]carbamate
CID 103389692
tert-butyl N-[(2S)-2-(ethylamino)propyl]carbamate
CID 59438683
tert-butyl N-[2-(3,3,3-trifluoropropylamino)propyl]carbamate
CID 103389896
tert-butyl N-[2-(2-but-3-enoxyethylamino)propyl]carbamate
CID 106396997
tert-butyl N-[2-(2-methylsulfinylethylamino)propyl]carbamate
CID 103390998
tert-butyl N-[2-(2-cyclohexyloxyethylamino)propyl]carbamate
CID 103389977
tert-butyl N-[4-amino-3-(2-methoxyethylamino)-4-oxo-2-propan-2-ylbutyl]carbamate
CID 107443050
tert-butyl N-[2-(2-methylbutylamino)propyl]carbamate
CID 103389833
tert-butyl N-[2-[2-(dimethylamino)propylamino]propyl]carbamate
CID 103389411
tert-butyl N-[2-(propan-2-ylamino)propyl]carbamate
CID 103386965

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate (CID 103386968) is tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate is COCCNC(C)CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate?
The InChIKey is HXWIPAPWUCAMHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-9(12-6-7-15-5)8-13-10(14)16-11(2,3)4/h9,12H,6-8H2,1-5H3,(H,13,14).
What are the key properties of tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate?
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate has a molecular weight of 232.32 g/mol, XLogP of 1.14, 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-(2-methoxyethylamino)propyl]carbamate is sourced from PubChem (CID 103386968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).