tert-butyl (NZ)-N-(aminomethylidene)carbamate

C6H12N2O2 — CID 82467777

IUPACtert-butyl (NZ)-N-(aminomethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C\N
InChIInChI=1S/C6H12N2O2/c1-6(2,3)10-5(9)8-4-7/h4H,1-3H3,(H2,7,8,9)
InChIKeyKGIHCIDSTZOVOV-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.91
Rot. Bonds

About tert-butyl (NZ)-N-(aminomethylidene)carbamate

tert-butyl (NZ)-N-(aminomethylidene)carbamate (PubChem CID 82467777) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is tert-butyl (NZ)-N-(aminomethylidene)carbamate.

Molecular Properties

Compound Nametert-butyl (NZ)-N-(aminomethylidene)carbamate
PubChem CID82467777
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC Nametert-butyl (NZ)-N-(aminomethylidene)carbamate
SMILESCC(C)(C)OC(=O)/N=C\N
InChIInChI=1S/C6H12N2O2/c1-6(2,3)10-5(9)8-4-7/h4H,1-3H3,(H2,7,8,9)
InChIKeyKGIHCIDSTZOVOV-UHFFFAOYSA-N
XLogP0.91
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
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

tert-butyl N-(3-amino-2-bromobut-2-enylidene)carbamate
CID 159506766
2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 175265990
tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 174692646
tert-butyl N-(5-methylhexylidene)carbamate
CID 57324162
tert-butyl N-(1-aminopropan-2-ylidene)carbamate
CID 154034661
tert-butyl (NE)-N-[(E)-3-phenylprop-2-enylidene]carbamate
CID 11195611
tert-butyl (NZ)-N-(furan-2-ylmethylidene)carbamate
CID 45091867
ditert-butyl oxalate;hydrazine
CID 88669499
tert-butyl N-[5-hydroxy-2-(hydroxymethyl)-4,4-dimethylpentylidene]carbamate
CID 167004167
tert-butyl (NE)-N-[(2-bromophenyl)methylidene]carbamate
CID 11666353
tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
CID 90989590

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NZ)-N-(aminomethylidene)carbamate?
The IUPAC name of tert-butyl (NZ)-N-(aminomethylidene)carbamate (CID 82467777) is tert-butyl (NZ)-N-(aminomethylidene)carbamate.
What is the SMILES notation for tert-butyl (NZ)-N-(aminomethylidene)carbamate?
The canonical SMILES for tert-butyl (NZ)-N-(aminomethylidene)carbamate is CC(C)(C)OC(=O)/N=C\N.
What is the InChIKey of tert-butyl (NZ)-N-(aminomethylidene)carbamate?
The InChIKey is KGIHCIDSTZOVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-6(2,3)10-5(9)8-4-7/h4H,1-3H3,(H2,7,8,9).
What are the key properties of tert-butyl (NZ)-N-(aminomethylidene)carbamate?
tert-butyl (NZ)-N-(aminomethylidene)carbamate has a molecular weight of 144.17 g/mol, XLogP of 0.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NZ)-N-(aminomethylidene)carbamate is sourced from PubChem (CID 82467777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).