ethyl (NZ)-N-(1-aminopropylidene)carbamate

C6H12N2O2 — CID 13420729

IUPACethyl (NZ)-N-(1-aminopropylidene)carbamate
SMILESCCOC(=O)/N=C(\N)CC
InChIInChI=1S/C6H12N2O2/c1-3-5(7)8-6(9)10-4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyWXDILXCQQONCFG-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds2

About ethyl (NZ)-N-(1-aminopropylidene)carbamate

ethyl (NZ)-N-(1-aminopropylidene)carbamate (PubChem CID 13420729) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is ethyl (NZ)-N-(1-aminopropylidene)carbamate.

Molecular Properties

Compound Nameethyl (NZ)-N-(1-aminopropylidene)carbamate
PubChem CID13420729
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nameethyl (NZ)-N-(1-aminopropylidene)carbamate
SMILESCCOC(=O)/N=C(\N)CC
InChIInChI=1S/C6H12N2O2/c1-3-5(7)8-6(9)10-4-2/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyWXDILXCQQONCFG-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
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
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
propan-2-yl (NE)-N-(1-aminoethylidene)carbamate
CID 20754856
propyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754861

Frequently Asked Questions

What is the IUPAC name of ethyl (NZ)-N-(1-aminopropylidene)carbamate?
The IUPAC name of ethyl (NZ)-N-(1-aminopropylidene)carbamate (CID 13420729) is ethyl (NZ)-N-(1-aminopropylidene)carbamate.
What is the SMILES notation for ethyl (NZ)-N-(1-aminopropylidene)carbamate?
The canonical SMILES for ethyl (NZ)-N-(1-aminopropylidene)carbamate is CCOC(=O)/N=C(\N)CC.
What is the InChIKey of ethyl (NZ)-N-(1-aminopropylidene)carbamate?
The InChIKey is WXDILXCQQONCFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-5(7)8-6(9)10-4-2/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of ethyl (NZ)-N-(1-aminopropylidene)carbamate?
ethyl (NZ)-N-(1-aminopropylidene)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 ethyl (NZ)-N-(1-aminopropylidene)carbamate is sourced from PubChem (CID 13420729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).