methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate

C6H12N2O2 — CID 13135118

IUPACmethyl (NE)-N-(1-amino-2-methylpropylidene)carbamate
SMILESCOC(=O)/N=C(/N)C(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)5(7)8-6(9)10-3/h4H,1-3H3,(H2,7,8,9)
InChIKeyFFXNXKIFSKDCPC-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.77
Rot. Bonds1

About methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate

methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate (PubChem CID 13135118) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate.

Molecular Properties

Compound Namemethyl (NE)-N-(1-amino-2-methylpropylidene)carbamate
PubChem CID13135118
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namemethyl (NE)-N-(1-amino-2-methylpropylidene)carbamate
SMILESCOC(=O)/N=C(/N)C(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)5(7)8-6(9)10-3/h4H,1-3H3,(H2,7,8,9)
InChIKeyFFXNXKIFSKDCPC-UHFFFAOYSA-N
XLogP0.77
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

methyl (NE)-N-(1-aminoethylidene)carbamate
CID 13118354
methyl N-(1-aminoethylidene)carbamate
CID 54362500
methyl (NZ)-N-(1-aminoethylidene)carbamate
CID 55290877
methyl (NE)-N-(1-aminobutylidene)carbamate
CID 13135116
methyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13135117
methyl (NE)-N-(1-amino-3-methylbutylidene)carbamate
CID 13135120
ethyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13420729
methyl (NE)-N-(1-aminopropylidene)carbamate
CID 13512046
2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754855
propyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754861
N-methoxycarbonyl-2-methylpropionamidine
CID 53797302
N-methoxycarbonylisovaleramidine
CID 53944559

Frequently Asked Questions

What is the IUPAC name of methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate?
The IUPAC name of methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate (CID 13135118) is methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate.
What is the SMILES notation for methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate?
The canonical SMILES for methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate is COC(=O)/N=C(/N)C(C)C.
What is the InChIKey of methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate?
The InChIKey is FFXNXKIFSKDCPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)5(7)8-6(9)10-3/h4H,1-3H3,(H2,7,8,9).
What are the key properties of methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate?
methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate has a molecular weight of 144.17 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate is sourced from PubChem (CID 13135118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).