propan-2-yl (NE)-N-(1-aminoethylidene)carbamate

C6H12N2O2 — CID 20754856

IUPACpropan-2-yl (NE)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N\C(=O)OC(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)10-6(9)8-5(3)7/h4H,1-3H3,(H2,7,8,9)
InChIKeyPKOLRVHCZCPIFD-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds1

About propan-2-yl (NE)-N-(1-aminoethylidene)carbamate

propan-2-yl (NE)-N-(1-aminoethylidene)carbamate (PubChem CID 20754856) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is propan-2-yl (NE)-N-(1-aminoethylidene)carbamate.

Molecular Properties

Compound Namepropan-2-yl (NE)-N-(1-aminoethylidene)carbamate
PubChem CID20754856
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Namepropan-2-yl (NE)-N-(1-aminoethylidene)carbamate
SMILESC/C(N)=N\C(=O)OC(C)C
InChIInChI=1S/C6H12N2O2/c1-4(2)10-6(9)8-5(3)7/h4H,1-3H3,(H2,7,8,9)
InChIKeyPKOLRVHCZCPIFD-UHFFFAOYSA-N
XLogP0.91
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 ≤ 50.91
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

N-carbomethoxy-O-isopropylisourea
CID 53978222
methyl (NZ)-N-[amino(propan-2-yloxy)methylidene]carbamate
CID 12917980
methyl (NE)-N-[amino(propan-2-yloxy)methylidene]carbamate
CID 88749577
methyl (NZ)-N-(1-aminopropylidene)carbamate
CID 13135117
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
propyl (NE)-N-(1-aminoethylidene)carbamate
CID 20754861
tert-butyl (NZ)-N-(1-aminoethylidene)carbamate
CID 45092360
N-ethoxycarbonylacetamidine
CID 54072165

Frequently Asked Questions

What is the IUPAC name of propan-2-yl (NE)-N-(1-aminoethylidene)carbamate?
The IUPAC name of propan-2-yl (NE)-N-(1-aminoethylidene)carbamate (CID 20754856) is propan-2-yl (NE)-N-(1-aminoethylidene)carbamate.
What is the SMILES notation for propan-2-yl (NE)-N-(1-aminoethylidene)carbamate?
The canonical SMILES for propan-2-yl (NE)-N-(1-aminoethylidene)carbamate is C/C(N)=N\C(=O)OC(C)C.
What is the InChIKey of propan-2-yl (NE)-N-(1-aminoethylidene)carbamate?
The InChIKey is PKOLRVHCZCPIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-4(2)10-6(9)8-5(3)7/h4H,1-3H3,(H2,7,8,9).
What are the key properties of propan-2-yl (NE)-N-(1-aminoethylidene)carbamate?
propan-2-yl (NE)-N-(1-aminoethylidene)carbamate has a molecular weight of 144.17 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl (NE)-N-(1-aminoethylidene)carbamate is sourced from PubChem (CID 20754856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).