methyl N-(butan-2-ylideneamino)carbamate

C6H12N2O2 — CID 4103963

IUPACmethyl N-(butan-2-ylideneamino)carbamate
SMILESCCC(C)=NNC(=O)OC
InChIInChI=1S/C6H12N2O2/c1-4-5(2)7-8-6(9)10-3/h4H2,1-3H3,(H,8,9)
InChIKeyHOYLHYPVDULOEV-UHFFFAOYSA-N
MW144.17 g/mol
LogP1.13
Rot. Bonds2

About methyl N-(butan-2-ylideneamino)carbamate

methyl N-(butan-2-ylideneamino)carbamate (PubChem CID 4103963) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl N-(butan-2-ylideneamino)carbamate.

Molecular Properties

Compound Namemethyl N-(butan-2-ylideneamino)carbamate
PubChem CID4103963
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl N-(butan-2-ylideneamino)carbamate
SMILESCCC(C)=NNC(=O)OC
InChIInChI=1S/C6H12N2O2/c1-4-5(2)7-8-6(9)10-3/h4H2,1-3H3,(H,8,9)
InChIKeyHOYLHYPVDULOEV-UHFFFAOYSA-N
XLogP1.13
TPSA50.69 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 ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N-(butan-2-ylideneamino)carbamate?
The IUPAC name of methyl N-(butan-2-ylideneamino)carbamate (CID 4103963) is methyl N-(butan-2-ylideneamino)carbamate.
What is the SMILES notation for methyl N-(butan-2-ylideneamino)carbamate?
The canonical SMILES for methyl N-(butan-2-ylideneamino)carbamate is CCC(C)=NNC(=O)OC.
What is the InChIKey of methyl N-(butan-2-ylideneamino)carbamate?
The InChIKey is HOYLHYPVDULOEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4-5(2)7-8-6(9)10-3/h4H2,1-3H3,(H,8,9).
What are the key properties of methyl N-(butan-2-ylideneamino)carbamate?
methyl N-(butan-2-ylideneamino)carbamate has a molecular weight of 144.17 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(butan-2-ylideneamino)carbamate is sourced from PubChem (CID 4103963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).