4,6,6-trimethyl-2-methylideneheptanamide

C11H21NO — CID 19706106

IUPAC4,6,6-trimethyl-2-methylideneheptanamide
SMILESC=C(CC(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C11H21NO/c1-8(7-11(3,4)5)6-9(2)10(12)13/h8H,2,6-7H2,1,3-5H3,(H2,12,13)
InChIKeyBTMKBFGASVHUKZ-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.49
Rot. Bonds4

About 4,6,6-trimethyl-2-methylideneheptanamide

4,6,6-trimethyl-2-methylideneheptanamide (PubChem CID 19706106) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 4,6,6-trimethyl-2-methylideneheptanamide.

Molecular Properties

Compound Name4,6,6-trimethyl-2-methylideneheptanamide
PubChem CID19706106
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name4,6,6-trimethyl-2-methylideneheptanamide
SMILESC=C(CC(C)CC(C)(C)C)C(N)=O
InChIInChI=1S/C11H21NO/c1-8(7-11(3,4)5)6-9(2)10(12)13/h8H,2,6-7H2,1,3-5H3,(H2,12,13)
InChIKeyBTMKBFGASVHUKZ-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 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 ≤ 52.49
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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Frequently Asked Questions

What is the IUPAC name of 4,6,6-trimethyl-2-methylideneheptanamide?
The IUPAC name of 4,6,6-trimethyl-2-methylideneheptanamide (CID 19706106) is 4,6,6-trimethyl-2-methylideneheptanamide.
What is the SMILES notation for 4,6,6-trimethyl-2-methylideneheptanamide?
The canonical SMILES for 4,6,6-trimethyl-2-methylideneheptanamide is C=C(CC(C)CC(C)(C)C)C(N)=O.
What is the InChIKey of 4,6,6-trimethyl-2-methylideneheptanamide?
The InChIKey is BTMKBFGASVHUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8(7-11(3,4)5)6-9(2)10(12)13/h8H,2,6-7H2,1,3-5H3,(H2,12,13).
What are the key properties of 4,6,6-trimethyl-2-methylideneheptanamide?
4,6,6-trimethyl-2-methylideneheptanamide has a molecular weight of 183.29 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,6-trimethyl-2-methylideneheptanamide is sourced from PubChem (CID 19706106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).