tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate

C12H26N2O3 — CID 107236759

IUPACtert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
SMILESCOC(C)(C)CC(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-9(8-12(5,6)16-7)13-14-10(15)17-11(2,3)4/h9,13H,8H2,1-7H3,(H,14,15)
InChIKeyURSYUUCJCMMFNA-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.22
Rot. Bonds5

About tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate

tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate (PubChem CID 107236759) has the molecular formula C12H26N2O3 and a molecular weight of 246.35 g/mol. Its IUPAC name is tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
PubChem CID107236759
Molecular FormulaC12H26N2O3
Molecular Weight246.35 g/mol
Exact Mass246.19
IUPAC Nametert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate
SMILESCOC(C)(C)CC(C)NNC(=O)OC(C)(C)C
InChIInChI=1S/C12H26N2O3/c1-9(8-12(5,6)16-7)13-14-10(15)17-11(2,3)4/h9,13H,8H2,1-7H3,(H,14,15)
InChIKeyURSYUUCJCMMFNA-UHFFFAOYSA-N
XLogP2.22
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-(1-aminopropan-2-ylamino)carbamate
CID 107237265
tert-butyl N-(1-ethylsulfonylpropan-2-ylamino)carbamate
CID 107237362
methyl N-(4-methoxy-4-methylpentan-2-yl)carbamate
CID 173238206
tert-butyl N-[4-[(4-methoxy-4-methylpentan-2-yl)amino]cyclohexyl]carbamate
CID 103785652
tert-butyl N-[(4-hydroxy-3-methylbutan-2-yl)amino]carbamate
CID 174652881
tert-butyl N-(2-methylpentan-3-ylamino)carbamate
CID 107237291
tert-butyl N-(1-butoxypropan-2-ylamino)carbamate
CID 172695076
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[[(2S)-1-methoxy-3-oxopropan-2-yl]amino]carbamate
CID 135156035
tert-butyl N-[[(2S)-3-methyl-1-oxobutan-2-yl]amino]carbamate
CID 54105539
N-(4-methoxy-4-methylpentan-2-yl)hydroxylamine
CID 82684700
tert-butyl 3-[(4-methoxy-4-methylpentan-2-yl)amino]azetidine-1-carboxylate
CID 103788152

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate?
The IUPAC name of tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate (CID 107236759) is tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate.
What is the SMILES notation for tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate?
The canonical SMILES for tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate is COC(C)(C)CC(C)NNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate?
The InChIKey is URSYUUCJCMMFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O3/c1-9(8-12(5,6)16-7)13-14-10(15)17-11(2,3)4/h9,13H,8H2,1-7H3,(H,14,15).
What are the key properties of tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate?
tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate has a molecular weight of 246.35 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-methoxy-4-methylpentan-2-yl)amino]carbamate is sourced from PubChem (CID 107236759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).