tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate

C16H29NO2 — CID 134842827

IUPACtert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate
SMILESC=CCC(CC(C)C)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-8-10-14(12-13(3)4)17(11-9-2)15(18)19-16(5,6)7/h8-9,13-14H,1-2,10-12H2,3-7H3
InChIKeyBOKPTFMBOZQUFJ-UHFFFAOYSA-N
MW267.41 g/mol
LogP4.40
Rot. Bonds7

About tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate

tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate (PubChem CID 134842827) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate
PubChem CID134842827
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Nametert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate
SMILESC=CCC(CC(C)C)N(CC=C)C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO2/c1-8-10-14(12-13(3)4)17(11-9-2)15(18)19-16(5,6)7/h8-9,13-14H,1-2,10-12H2,3-7H3
InChIKeyBOKPTFMBOZQUFJ-UHFFFAOYSA-N
XLogP4.40
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 54.40
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-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate?
The IUPAC name of tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate (CID 134842827) is tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate.
What is the SMILES notation for tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate?
The canonical SMILES for tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate is C=CCC(CC(C)C)N(CC=C)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate?
The InChIKey is BOKPTFMBOZQUFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-8-10-14(12-13(3)4)17(11-9-2)15(18)19-16(5,6)7/h8-9,13-14H,1-2,10-12H2,3-7H3.
What are the key properties of tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate?
tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate has a molecular weight of 267.41 g/mol, XLogP of 4.40, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(6-methylhept-1-en-4-yl)-N-prop-2-enylcarbamate is sourced from PubChem (CID 134842827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).