tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate

C12H26N2O3 — CID 134511015

IUPACtert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate
SMILESCCOC(C)(C)CCNNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-7-16-12(5,6)8-9-13-14-10(15)17-11(2,3)4/h13H,7-9H2,1-6H3,(H,14,15)
InChIKeyNWYXUXXQQIZRKL-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.22
Rot. Bonds6

About tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate

tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate (PubChem CID 134511015) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate
PubChem CID134511015
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate
SMILESCCOC(C)(C)CCNNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-7-16-12(5,6)8-9-13-14-10(15)17-11(2,3)4/h13H,7-9H2,1-6H3,(H,14,15)
InChIKeyNWYXUXXQQIZRKL-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(octylamino)carbamate
CID 107237086
tert-butyl N-(2-methoxyethylamino)carbamate
CID 87253859
tert-butyl N-[2-(2-aminoethoxy)ethylamino]carbamate
CID 150569720
tert-butyl N-(4-methylsulfanylbutylamino)carbamate
CID 107237275
2,2-dimethyl-4-[2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]butan-2-yl]oxybutanoic acid
CID 123714443
tert-butyl N-(prop-2-enylamino)carbamate
CID 11240753
tert-butyl N-(cyclopropylmethylamino)carbamate
CID 67491579
N-(3-ethoxy-3-methylbutyl)prop-2-enamide
CID 123897679
tert-butyl N-[3-(3-bromobutoxy)-3-methylbutyl]carbamate
CID 167168575
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-[2-(2-methylbutan-2-yloxy)ethyl]carbamate
CID 130655244
tert-butyl N-(2,3,3-trimethylbutylamino)carbamate
CID 130506890

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate?
The IUPAC name of tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate (CID 134511015) is tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate is CCOC(C)(C)CCNNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate?
The InChIKey is NWYXUXXQQIZRKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-7-16-12(5,6)8-9-13-14-10(15)17-11(2,3)4/h13H,7-9H2,1-6H3,(H,14,15).
What are the key properties of tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate?
tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate has a molecular weight of 246.35 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3-ethoxy-3-methylbutyl)amino]carbamate is sourced from PubChem (CID 134511015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).