tert-butyl N-(1-aminopropan-2-ylidene)carbamate

C8H16N2O2 — CID 154034661

IUPACtert-butyl N-(1-aminopropan-2-ylidene)carbamate
SMILESCC(CN)=NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h5,9H2,1-4H3
InChIKeyOWLDWMNBKYNTON-UHFFFAOYSA-N
MW172.23 g/mol
LogP1.34
Rot. Bonds1

About tert-butyl N-(1-aminopropan-2-ylidene)carbamate

tert-butyl N-(1-aminopropan-2-ylidene)carbamate (PubChem CID 154034661) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is tert-butyl N-(1-aminopropan-2-ylidene)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-aminopropan-2-ylidene)carbamate
PubChem CID154034661
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Nametert-butyl N-(1-aminopropan-2-ylidene)carbamate
SMILESCC(CN)=NC(=O)OC(C)(C)C
InChIInChI=1S/C8H16N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h5,9H2,1-4H3
InChIKeyOWLDWMNBKYNTON-UHFFFAOYSA-N
XLogP1.34
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-pentan-3-ylidenecarbamate
CID 123157234
tert-butyl 2-aminoacetate;ethane
CID 143116857
tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
CID 90989590
tert-butyl (NZ)-N-(aminomethylidene)carbamate
CID 82467777
tert-butyl N-[1-[but-3-ynyl(methyl)amino]ethylidene]carbamate
CID 162107456
tert-butyl N-[amino-[4-(aminomethyl)piperidin-1-yl]methylidene]carbamate
CID 69306673
[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate
CID 91395086
tert-butyl N-[(2S)-butan-2-yl]-N-[(E)-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]carbamate
CID 10947006
tert-butyl (NZ)-N-[amino-(4-ethylphenyl)methylidene]carbamate
CID 82480274
(3R)-3-hydroxy-2-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 148844904
tert-butyl acetate
CID 159704758
ethyl 3-[(2-methylpropan-2-yl)oxycarbonyldiazenyl]but-2-enoate
CID 73121178

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-aminopropan-2-ylidene)carbamate?
The IUPAC name of tert-butyl N-(1-aminopropan-2-ylidene)carbamate (CID 154034661) is tert-butyl N-(1-aminopropan-2-ylidene)carbamate.
What is the SMILES notation for tert-butyl N-(1-aminopropan-2-ylidene)carbamate?
The canonical SMILES for tert-butyl N-(1-aminopropan-2-ylidene)carbamate is CC(CN)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(1-aminopropan-2-ylidene)carbamate?
The InChIKey is OWLDWMNBKYNTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-6(5-9)10-7(11)12-8(2,3)4/h5,9H2,1-4H3.
What are the key properties of tert-butyl N-(1-aminopropan-2-ylidene)carbamate?
tert-butyl N-(1-aminopropan-2-ylidene)carbamate has a molecular weight of 172.23 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-aminopropan-2-ylidene)carbamate is sourced from PubChem (CID 154034661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).