propyl (NE)-N-(1-aminoethylidene)carbamate

C6H12N2O2 — CID 20754861

IUPACpropyl (NE)-N-(1-aminoethylidene)carbamate
SMILESCCCOC(=O)/N=C(\C)N
InChIInChI=1S/C6H12N2O2/c1-3-4-10-6(9)8-5(2)7/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyQZVCWXXJYGFBBU-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds2

About propyl (NE)-N-(1-aminoethylidene)carbamate

propyl (NE)-N-(1-aminoethylidene)carbamate (PubChem CID 20754861) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is propyl (NE)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Namepropyl (NE)-N-(1-aminoethylidene)carbamate
PubChem CID20754861
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namepropyl (NE)-N-(1-aminoethylidene)carbamate
SMILESCCCOC(=O)/N=C(\C)N
InChIInChI=1S/C6H12N2O2/c1-3-4-10-6(9)8-5(2)7/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyQZVCWXXJYGFBBU-UHFFFAOYSA-N
XLogP0.91
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.91
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
2-[(Z)-1-aminoethylidenecarbamoyl]oxyethyl (NE)-N-(1-aminoethylidene)carbamate
CID 5355328
methyl (NE)-N-(1-aminobutylidene)carbamate
CID 13135116
methyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13135117
methyl (NE)-N-(1-amino-2-methylpropylidene)carbamate
CID 13135118
ethyl (NE)-N-(1-aminoethylidene)carbamate
CID 13135123
ethyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13420729
methyl (NE)-N-(1-aminopropylidene)carbamate
CID 13512046
butyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754853
2-methylpropyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754855

Frequently Asked Questions

What is the IUPAC name of propyl (NE)-N-(1-aminoethylidene)carbamate?
The IUPAC name of propyl (NE)-N-(1-aminoethylidene)carbamate (CID 20754861) is propyl (NE)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for propyl (NE)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for propyl (NE)-N-(1-aminoethylidene)carbamate is CCCOC(=O)/N=C(\C)N.
What is the InChIKey of propyl (NE)-N-(1-aminoethylidene)carbamate?
The InChIKey is QZVCWXXJYGFBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-4-10-6(9)8-5(2)7/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of propyl (NE)-N-(1-aminoethylidene)carbamate?
propyl (NE)-N-(1-aminoethylidene)carbamate has a molecular weight of 144.17 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propyl (NE)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 20754861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).