N-tert-butyl-2-methylidenehexanamide

C11H21NO — CID 12616073

IUPACN-tert-butyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-8-9(2)10(13)12-11(3,4)5/h2,6-8H2,1,3-5H3,(H,12,13)
InChIKeyXBDHAHUFDWKODC-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.65
Rot. Bonds4

About N-tert-butyl-2-methylidenehexanamide

N-tert-butyl-2-methylidenehexanamide (PubChem CID 12616073) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is N-tert-butyl-2-methylidenehexanamide.

Molecular Properties

Compound NameN-tert-butyl-2-methylidenehexanamide
PubChem CID12616073
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC NameN-tert-butyl-2-methylidenehexanamide
SMILESC=C(CCCC)C(=O)NC(C)(C)C
InChIInChI=1S/C11H21NO/c1-6-7-8-9(2)10(13)12-11(3,4)5/h2,6-8H2,1,3-5H3,(H,12,13)
InChIKeyXBDHAHUFDWKODC-UHFFFAOYSA-N
XLogP2.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

N-tert-butylcyclopentene-1-carboxamide
CID 15647929
N-tert-butylhept-6-enamide
CID 15640341
N-tert-butyl-2-methylideneoctanamide
CID 102470870
N-tert-butyl-4-methyl-2-methylidenepentanamide
CID 135061980
N-tert-butylcyclohexene-1-carboxamide
CID 12555791
N-(2-methylprop-2-enoyl)hexanamide
CID 22568306
N-tert-butyl-4-methylidenehex-5-enamide
CID 58118954
N-tertiary-butyl-cyanopropyl acrylamide
CID 86645798
N,N-ditert-butyl-2-methylidenepentanamide
CID 87268966
N,N-ditert-butyl-2-methylidenehexanamide
CID 87268971
2-methylidene-N-(2-methylprop-2-enoyl)hexanamide
CID 91364838
6-(Ethylamino)-2-methylidenehexanamide
CID 118536844

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methylidenehexanamide?
The IUPAC name of N-tert-butyl-2-methylidenehexanamide (CID 12616073) is N-tert-butyl-2-methylidenehexanamide.
What is the SMILES notation for N-tert-butyl-2-methylidenehexanamide?
The canonical SMILES for N-tert-butyl-2-methylidenehexanamide is C=C(CCCC)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methylidenehexanamide?
The InChIKey is XBDHAHUFDWKODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-6-7-8-9(2)10(13)12-11(3,4)5/h2,6-8H2,1,3-5H3,(H,12,13).
What are the key properties of N-tert-butyl-2-methylidenehexanamide?
N-tert-butyl-2-methylidenehexanamide has a molecular weight of 183.29 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methylidenehexanamide is sourced from PubChem (CID 12616073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).