[methyl(3-methylbutan-2-yl)amino] N-formylcarbamate

C8H16N2O3 — CID 123795513

IUPAC[methyl(3-methylbutan-2-yl)amino] N-formylcarbamate
SMILESCC(C)C(C)N(C)OC(=O)NC=O
InChIInChI=1S/C8H16N2O3/c1-6(2)7(3)10(4)13-8(12)9-5-11/h5-7H,1-4H3,(H,9,11,12)
InChIKeyLSANDPVVXNTZJN-UHFFFAOYSA-N
MW188.23 g/mol
LogP0.76
Rot. Bonds4

About [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate

[methyl(3-methylbutan-2-yl)amino] N-formylcarbamate (PubChem CID 123795513) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate.

Molecular Properties

Compound Name[methyl(3-methylbutan-2-yl)amino] N-formylcarbamate
PubChem CID123795513
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC Name[methyl(3-methylbutan-2-yl)amino] N-formylcarbamate
SMILESCC(C)C(C)N(C)OC(=O)NC=O
InChIInChI=1S/C8H16N2O3/c1-6(2)7(3)10(4)13-8(12)9-5-11/h5-7H,1-4H3,(H,9,11,12)
InChIKeyLSANDPVVXNTZJN-UHFFFAOYSA-N
XLogP0.76
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(dimethylcarbamoyl)formamide
CID 21483017
2-amino-N-formyl-3-methylbutanamide
CID 22035229
[methyl(propan-2-yl)amino] formate
CID 174589293
N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 59974512
ethane;N-formyl-3-hydroxy-2-(methylamino)butanamide
CID 171078131
methyl 1-amino-3-[methyl(3-methylbutan-2-yl)amino]cyclohexane-1-carboxylate
CID 79636382
[1-(methylamino)-1-oxopropan-2-yl] formate
CID 89053877
methyl 2-methyl-3-[methyl(3-methylbutan-2-yl)amino]propanoate
CID 43570291
[(1S)-1-formyloxy-2-methylpropyl] (2S)-2-amino-3-methylbutanoate
CID 121405560
(1-formyloxy-2-methylpropyl) 2-amino-3-methylbutanoate
CID 121405709
2-(4-aminocyclohexyl)-N-methyl-N-(3-methylbutan-2-yl)acetamide
CID 62782528
3-methyl-1-[methyl-(propan-2-ylamino)amino]butan-2-one
CID 59465364

Frequently Asked Questions

What is the IUPAC name of [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate?
The IUPAC name of [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate (CID 123795513) is [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate.
What is the SMILES notation for [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate?
The canonical SMILES for [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate is CC(C)C(C)N(C)OC(=O)NC=O.
What is the InChIKey of [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate?
The InChIKey is LSANDPVVXNTZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6(2)7(3)10(4)13-8(12)9-5-11/h5-7H,1-4H3,(H,9,11,12).
What are the key properties of [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate?
[methyl(3-methylbutan-2-yl)amino] N-formylcarbamate has a molecular weight of 188.23 g/mol, XLogP of 0.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl(3-methylbutan-2-yl)amino] N-formylcarbamate is sourced from PubChem (CID 123795513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).