tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate

C15H32N2O3 — CID 107441394

IUPACtert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate
SMILESCCOCCNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C15H32N2O3/c1-7-19-9-8-16-10-13(12(2)3)11-17-14(18)20-15(4,5)6/h12-13,16H,7-11H2,1-6H3,(H,17,18)
InChIKeyNKIFIJSHPAAYCB-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.41
Rot. Bonds9

About tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate

tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate (PubChem CID 107441394) has the molecular formula C15H32N2O3 and a molecular weight of 288.43 g/mol. Its IUPAC name is tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate
PubChem CID107441394
Molecular FormulaC15H32N2O3
Molecular Weight288.43 g/mol
Exact Mass288.24
IUPAC Nametert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate
SMILESCCOCCNCC(CNC(=O)OC(C)(C)C)C(C)C
InChIInChI=1S/C15H32N2O3/c1-7-19-9-8-16-10-13(12(2)3)11-17-14(18)20-15(4,5)6/h12-13,16H,7-11H2,1-6H3,(H,17,18)
InChIKeyNKIFIJSHPAAYCB-UHFFFAOYSA-N
XLogP2.41
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.41
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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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate (CID 107441394) is tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate is CCOCCNCC(CNC(=O)OC(C)(C)C)C(C)C.
What is the InChIKey of tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate?
The InChIKey is NKIFIJSHPAAYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2O3/c1-7-19-9-8-16-10-13(12(2)3)11-17-14(18)20-15(4,5)6/h12-13,16H,7-11H2,1-6H3,(H,17,18).
What are the key properties of tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate?
tert-butyl N-[2-[(2-ethoxyethylamino)methyl]-3-methylbutyl]carbamate has a molecular weight of 288.43 g/mol, XLogP of 2.41, 9 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-ethoxyethylamino)methyl]-3-methylbutyl]carbamate is sourced from PubChem (CID 107441394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).