[(E)-3-methylbutan-2-ylideneamino] carbamate

C6H12N2O2 — CID 143595167

IUPAC[(E)-3-methylbutan-2-ylideneamino] carbamate
SMILESC/C(=N\OC(N)=O)C(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)5(3)8-10-6(7)9/h4H,1-3H3,(H2,7,9)/b8-5+
InChIKeyGGWBXVCVSWVYRB-VMPITWQZSA-N
MW144.17 g/mol
LogP1.11
Rot. Bonds2

About [(E)-3-methylbutan-2-ylideneamino] carbamate

[(E)-3-methylbutan-2-ylideneamino] carbamate (PubChem CID 143595167) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is [(E)-3-methylbutan-2-ylideneamino] carbamate.

Molecular Properties

Compound Name[(E)-3-methylbutan-2-ylideneamino] carbamate
PubChem CID143595167
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Name[(E)-3-methylbutan-2-ylideneamino] carbamate
SMILESC/C(=N\OC(N)=O)C(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)5(3)8-10-6(7)9/h4H,1-3H3,(H2,7,9)/b8-5+
InChIKeyGGWBXVCVSWVYRB-VMPITWQZSA-N
XLogP1.11
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

(1-chloroethylideneamino) carbamate
CID 3077605
[(E)-2-methylpentan-3-ylideneamino] carbamate
CID 172920037
2-(3-methylbutan-2-ylideneamino)oxyacetic acid
CID 77013154
3-methyl-N-silyloxybutan-2-imine
CID 130884535
(butan-2-ylideneamino) carbamate
CID 54343836
2-methylpropanamide;bis(propan-2-one)
CID 174404145
(2,4-dimethylpentan-3-ylideneamino) acetate
CID 129117701
acetamide;alumane
CID 174673000
[(E)-3-methylbutan-2-ylideneamino] 5-methyl-3-propan-2-yl-4H-1,2-oxazole-5-carboxylate
CID 167387527
[(E)-(4-methyl-3-oxopentan-2-ylidene)amino] acetate
CID 162411014
[[1-(dimethylamino)-1-sulfanylidenepropan-2-ylidene]amino] carbamate;methane
CID 173434220
[1-(1-aminoethyl)cyclopropyl] carbamate
CID 175169342

Frequently Asked Questions

What is the IUPAC name of [(E)-3-methylbutan-2-ylideneamino] carbamate?
The IUPAC name of [(E)-3-methylbutan-2-ylideneamino] carbamate (CID 143595167) is [(E)-3-methylbutan-2-ylideneamino] carbamate.
What is the SMILES notation for [(E)-3-methylbutan-2-ylideneamino] carbamate?
The canonical SMILES for [(E)-3-methylbutan-2-ylideneamino] carbamate is C/C(=N\OC(N)=O)C(C)C.
What is the InChIKey of [(E)-3-methylbutan-2-ylideneamino] carbamate?
The InChIKey is GGWBXVCVSWVYRB-VMPITWQZSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)5(3)8-10-6(7)9/h4H,1-3H3,(H2,7,9)/b8-5+.
What are the key properties of [(E)-3-methylbutan-2-ylideneamino] carbamate?
[(E)-3-methylbutan-2-ylideneamino] carbamate has a molecular weight of 144.17 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-methylbutan-2-ylideneamino] carbamate is sourced from PubChem (CID 143595167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).