tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate

C14H27NO2 — CID 143879614

IUPACtert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate
SMILESCC/C=C\C(C)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-8-9-12(2)10-11-15(6)13(16)17-14(3,4)5/h8-9,12H,7,10-11H2,1-6H3/b9-8-
InChIKeyZSASNRJASMDLQZ-HJWRWDBZSA-N
MW241.37 g/mol
LogP3.85
Rot. Bonds5

About tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate

tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate (PubChem CID 143879614) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate
PubChem CID143879614
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Nametert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate
SMILESCC/C=C\C(C)CCN(C)C(=O)OC(C)(C)C
InChIInChI=1S/C14H27NO2/c1-7-8-9-12(2)10-11-15(6)13(16)17-14(3,4)5/h8-9,12H,7,10-11H2,1-6H3/b9-8-
InChIKeyZSASNRJASMDLQZ-HJWRWDBZSA-N
XLogP3.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate?
The IUPAC name of tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate (CID 143879614) is tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate.
What is the SMILES notation for tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate?
The canonical SMILES for tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate is CC/C=C\C(C)CCN(C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate?
The InChIKey is ZSASNRJASMDLQZ-HJWRWDBZSA-N. The full InChI is InChI=1S/C14H27NO2/c1-7-8-9-12(2)10-11-15(6)13(16)17-14(3,4)5/h8-9,12H,7,10-11H2,1-6H3/b9-8-.
What are the key properties of tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate?
tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate has a molecular weight of 241.37 g/mol, XLogP of 3.85, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-methyl-N-[(Z)-3-methylhept-4-enyl]carbamate is sourced from PubChem (CID 143879614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).