methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate

C11H21NO2 — CID 90872009

IUPACmethyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(C)C)C(NC(=O)OC)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)9(5)10(8(3)4)12-11(13)14-6/h7-8,10H,5H2,1-4,6H3,(H,12,13)
InChIKeyQGXGQMXBZAYZEY-UHFFFAOYSA-N
MW199.29 g/mol
LogP2.58
Rot. Bonds4

About methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate

methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate (PubChem CID 90872009) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate.

Molecular Properties

Compound Namemethyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
PubChem CID90872009
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Namemethyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate
SMILESC=C(C(C)C)C(NC(=O)OC)C(C)C
InChIInChI=1S/C11H21NO2/c1-7(2)9(5)10(8(3)4)12-11(13)14-6/h7-8,10H,5H2,1-4,6H3,(H,12,13)
InChIKeyQGXGQMXBZAYZEY-UHFFFAOYSA-N
XLogP2.58
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 52.58
H-Bond Donors ≤ 51
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 methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
The IUPAC name of methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate (CID 90872009) is methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate.
What is the SMILES notation for methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
The canonical SMILES for methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate is C=C(C(C)C)C(NC(=O)OC)C(C)C.
What is the InChIKey of methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
The InChIKey is QGXGQMXBZAYZEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-7(2)9(5)10(8(3)4)12-11(13)14-6/h7-8,10H,5H2,1-4,6H3,(H,12,13).
What are the key properties of methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate?
methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate has a molecular weight of 199.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2,5-dimethyl-4-methylidenehexan-3-yl)carbamate is sourced from PubChem (CID 90872009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).