tert-butyl (NE)-N-heptylidenecarbamate

C12H23NO2 — CID 135071465

IUPACtert-butyl (NE)-N-heptylidenecarbamate
SMILESCCCCCC/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-8-9-10-13-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3/b13-10+
InChIKeyFAUUAZGJOWAYHV-JLHYYAGUSA-N
MW213.32 g/mol
LogP3.96
Rot. Bonds5

About tert-butyl (NE)-N-heptylidenecarbamate

tert-butyl (NE)-N-heptylidenecarbamate (PubChem CID 135071465) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is tert-butyl (NE)-N-heptylidenecarbamate.

Molecular Properties

Compound Nametert-butyl (NE)-N-heptylidenecarbamate
PubChem CID135071465
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC Nametert-butyl (NE)-N-heptylidenecarbamate
SMILESCCCCCC/C=N/C(=O)OC(C)(C)C
InChIInChI=1S/C12H23NO2/c1-5-6-7-8-9-10-13-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3/b13-10+
InChIKeyFAUUAZGJOWAYHV-JLHYYAGUSA-N
XLogP3.96
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.96
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 N-(5-methylhexylidene)carbamate
CID 57324162
N-tridecylidenedodecanamide
CID 87784437
tert-butyl dec-2-enoate
CID 71411738
hexylidenecarbamothioic S-acid
CID 91574516
tert-butyl (Z)-triacont-21-enoate
CID 132563275
tert-butyl hydrogen carbonate;octane
CID 174792423
tert-butyl N-methylcarbamate;(Z)-hexadec-8-ene
CID 176669874
tert-butyl N-dodecyl-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 89457667
tert-butyl octacosanoate
CID 174872722
(nonylideneamino) acetate
CID 90921224
tert-butyl decanoate;hydrochloride
CID 172828660
tert-butyl dodecanoate;hydrate
CID 159574999

Frequently Asked Questions

What is the IUPAC name of tert-butyl (NE)-N-heptylidenecarbamate?
The IUPAC name of tert-butyl (NE)-N-heptylidenecarbamate (CID 135071465) is tert-butyl (NE)-N-heptylidenecarbamate.
What is the SMILES notation for tert-butyl (NE)-N-heptylidenecarbamate?
The canonical SMILES for tert-butyl (NE)-N-heptylidenecarbamate is CCCCCC/C=N/C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (NE)-N-heptylidenecarbamate?
The InChIKey is FAUUAZGJOWAYHV-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H23NO2/c1-5-6-7-8-9-10-13-11(14)15-12(2,3)4/h10H,5-9H2,1-4H3/b13-10+.
What are the key properties of tert-butyl (NE)-N-heptylidenecarbamate?
tert-butyl (NE)-N-heptylidenecarbamate has a molecular weight of 213.32 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (NE)-N-heptylidenecarbamate is sourced from PubChem (CID 135071465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).