tert-butyl N-pentan-3-ylidenecarbamate

C10H19NO2 — CID 123157234

IUPACtert-butyl N-pentan-3-ylidenecarbamate
SMILESCCC(CC)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(7-2)11-9(12)13-10(3,4)5/h6-7H2,1-5H3
InChIKeyLZWRSJCRAZFHSU-UHFFFAOYSA-N
MW185.27 g/mol
LogP3.18
Rot. Bonds2

About tert-butyl N-pentan-3-ylidenecarbamate

tert-butyl N-pentan-3-ylidenecarbamate (PubChem CID 123157234) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is tert-butyl N-pentan-3-ylidenecarbamate.

Molecular Properties

Compound Nametert-butyl N-pentan-3-ylidenecarbamate
PubChem CID123157234
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Nametert-butyl N-pentan-3-ylidenecarbamate
SMILESCCC(CC)=NC(=O)OC(C)(C)C
InChIInChI=1S/C10H19NO2/c1-6-8(7-2)11-9(12)13-10(3,4)5/h6-7H2,1-5H3
InChIKeyLZWRSJCRAZFHSU-UHFFFAOYSA-N
XLogP3.18
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(1-aminopropan-2-ylidene)carbamate
CID 154034661
tert-butyl 3-[(2-methylpropan-2-yl)oxycarbonylimino]-6-oxohexanoate
CID 91065350
tert-butyl N-[(E)-N,N-diethyl-N'-[(2-methylpropan-2-yl)oxycarbonyl]carbamimidoyl]-N-methylcarbamate
CID 11034862
tert-butyl propanoate;hydrobromide
CID 172778720
tert-butyl (NE)-N-[diethylamino-[(2-methylpropan-2-yl)oxycarbonylamino]methylidene]carbamate
CID 11099097
[C-methyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbonimidoyl] cyclopropanecarboxylate
CID 91395086
tert-butyl N-[(Z)-pent-3-en-2-ylidene]carbamate
CID 90989590
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 N-[(6S)-6-amino-1-[(2-methylpropan-2-yl)oxycarbonylamino]-7-oxononylidene]carbamate
CID 159581675
prop-1-en-2-yl N-[(2-methylpropan-2-yl)oxycarbonylimino]carbamate
CID 173489407

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-pentan-3-ylidenecarbamate?
The IUPAC name of tert-butyl N-pentan-3-ylidenecarbamate (CID 123157234) is tert-butyl N-pentan-3-ylidenecarbamate.
What is the SMILES notation for tert-butyl N-pentan-3-ylidenecarbamate?
The canonical SMILES for tert-butyl N-pentan-3-ylidenecarbamate is CCC(CC)=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-pentan-3-ylidenecarbamate?
The InChIKey is LZWRSJCRAZFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-6-8(7-2)11-9(12)13-10(3,4)5/h6-7H2,1-5H3.
What are the key properties of tert-butyl N-pentan-3-ylidenecarbamate?
tert-butyl N-pentan-3-ylidenecarbamate has a molecular weight of 185.27 g/mol, XLogP of 3.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-pentan-3-ylidenecarbamate is sourced from PubChem (CID 123157234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).