tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate

C14H30N2O4 — CID 107254177

IUPACtert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate
SMILESCOC(CNC(CNC(=O)OC(C)(C)C)C(C)C)OC
InChIInChI=1S/C14H30N2O4/c1-10(2)11(15-9-12(18-6)19-7)8-16-13(17)20-14(3,4)5/h10-12,15H,8-9H2,1-7H3,(H,16,17)
InChIKeyUQPJUCSOFOXRJL-UHFFFAOYSA-N
MW290.40 g/mol
LogP1.74
Rot. Bonds8

About tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate

tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate (PubChem CID 107254177) has the molecular formula C14H30N2O4 and a molecular weight of 290.40 g/mol. Its IUPAC name is tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate
PubChem CID107254177
Molecular FormulaC14H30N2O4
Molecular Weight290.40 g/mol
Exact Mass290.22
IUPAC Nametert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate
SMILESCOC(CNC(CNC(=O)OC(C)(C)C)C(C)C)OC
InChIInChI=1S/C14H30N2O4/c1-10(2)11(15-9-12(18-6)19-7)8-16-13(17)20-14(3,4)5/h10-12,15H,8-9H2,1-7H3,(H,16,17)
InChIKeyUQPJUCSOFOXRJL-UHFFFAOYSA-N
XLogP1.74
TPSA68.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.40
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[3-methyl-2-(propylamino)butyl]carbamate
CID 107254098
tert-butyl N-(2-amino-3-methylbutyl)carbamate
CID 71437538
tert-butyl N-[2-(cycloheptylmethylamino)-3-methylbutyl]carbamate
CID 107254308
tert-butyl N-[3-methyl-2-(2-phenylethylamino)butyl]carbamate
CID 107253966
tert-butyl N-[(2R)-2-aminopropyl]carbamate
CID 45072491
tert-butyl N-[(2R)-2-aminopropyl]carbamate;hydrochloride
CID 53484846
tert-butyl N-[3-methyl-2-(1H-pyrrol-2-ylmethylamino)butyl]carbamate
CID 107254102
methyl 2,3-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butanoate
CID 170380400
tert-butyl N-[3-methyl-2-[(3-methylfuran-2-yl)methylamino]butyl]carbamate
CID 107254248
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]-3-methylbutyl]carbamate
CID 107254041
methyl 3-methyl-2-[[3-methyl-2-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]butyl]amino]butanoate
CID 107441353
methyl 2-iodo-3-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 103493270

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate?
The IUPAC name of tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate (CID 107254177) is tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate is COC(CNC(CNC(=O)OC(C)(C)C)C(C)C)OC.
What is the InChIKey of tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate?
The InChIKey is UQPJUCSOFOXRJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O4/c1-10(2)11(15-9-12(18-6)19-7)8-16-13(17)20-14(3,4)5/h10-12,15H,8-9H2,1-7H3,(H,16,17).
What are the key properties of tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate?
tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate has a molecular weight of 290.40 g/mol, XLogP of 1.74, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(2,2-dimethoxyethylamino)-3-methylbutyl]carbamate is sourced from PubChem (CID 107254177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).