tert-butyl N-(5-methylhexylidene)carbamate

C12H23NO2 — CID 57324162

IUPACtert-butyl N-(5-methylhexylidene)carbamate
SMILESCC(C)CCCC=NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)8-6-7-9-13-11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyAEOBECHCKUGUJI-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.82
Rot. Bonds4

About tert-butyl N-(5-methylhexylidene)carbamate

tert-butyl N-(5-methylhexylidene)carbamate (PubChem CID 57324162) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl N-(5-methylhexylidene)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-methylhexylidene)carbamate
PubChem CID57324162
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl N-(5-methylhexylidene)carbamate
SMILESCC(C)CCCC=NC(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-10(2)8-6-7-9-13-11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3
InChIKeyAEOBECHCKUGUJI-UHFFFAOYSA-N
XLogP3.82
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (NE)-N-heptylidenecarbamate
CID 135071465
(2R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 174692646
2-hydroxy-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylimino]butanoic acid
CID 175265990
tert-butyl 8-methyl-2-(4-methylpentyl)nonanoate
CID 172624569
tert-butyl (NZ)-N-(aminomethylidene)carbamate
CID 82467777
tert-butyl 4-methylpentanoate
CID 14724205
tert-butyl N-[3-amino-3-(3,3-dicyclopropylpropoxy)prop-2-enylidene]carbamate
CID 163924054
tert-butyl N-(6-methylheptyl)carbamate
CID 143166499
tert-butyl 2-[3-(6-methylheptoxy)propoxy]acetate
CID 167404760
tert-butyl 3-[2-(6-methylheptoxy)ethoxy]propanoate
CID 170192834
tert-butyl N-[4-(3-methylbutylamino)-4-oxobutyl]carbamate
CID 24689253
tert-butyl 2-(3-methylbutylamino)acetate
CID 15481673

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-methylhexylidene)carbamate?
The IUPAC name of tert-butyl N-(5-methylhexylidene)carbamate (CID 57324162) is tert-butyl N-(5-methylhexylidene)carbamate.
What is the SMILES notation for tert-butyl N-(5-methylhexylidene)carbamate?
The canonical SMILES for tert-butyl N-(5-methylhexylidene)carbamate is CC(C)CCCC=NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-methylhexylidene)carbamate?
The InChIKey is AEOBECHCKUGUJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-10(2)8-6-7-9-13-11(14)15-12(3,4)5/h9-10H,6-8H2,1-5H3.
What are the key properties of tert-butyl N-(5-methylhexylidene)carbamate?
tert-butyl N-(5-methylhexylidene)carbamate has a molecular weight of 213.32 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(5-methylhexylidene)carbamate is sourced from PubChem (CID 57324162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).