ethane;3-methyl-2-methylidenehexanamide

C10H21NO — CID 145466339

IUPACethane;3-methyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)CCC.CC
InChIInChI=1S/C8H15NO.C2H6/c1-4-5-6(2)7(3)8(9)10;1-2/h6H,3-5H2,1-2H3,(H2,9,10);1-2H3
InChIKeySRXSDRQHGNXVMI-UHFFFAOYSA-N
MW171.28 g/mol
LogP2.49
Rot. Bonds4

About ethane;3-methyl-2-methylidenehexanamide

ethane;3-methyl-2-methylidenehexanamide (PubChem CID 145466339) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is ethane;3-methyl-2-methylidenehexanamide.

Molecular Properties

Compound Nameethane;3-methyl-2-methylidenehexanamide
PubChem CID145466339
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Nameethane;3-methyl-2-methylidenehexanamide
SMILESC=C(C(N)=O)C(C)CCC.CC
InChIInChI=1S/C8H15NO.C2H6/c1-4-5-6(2)7(3)8(9)10;1-2/h6H,3-5H2,1-2H3,(H2,9,10);1-2H3
InChIKeySRXSDRQHGNXVMI-UHFFFAOYSA-N
XLogP2.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
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 ethane;3-methyl-2-methylidenehexanamide?
The IUPAC name of ethane;3-methyl-2-methylidenehexanamide (CID 145466339) is ethane;3-methyl-2-methylidenehexanamide.
What is the SMILES notation for ethane;3-methyl-2-methylidenehexanamide?
The canonical SMILES for ethane;3-methyl-2-methylidenehexanamide is C=C(C(N)=O)C(C)CCC.CC.
What is the InChIKey of ethane;3-methyl-2-methylidenehexanamide?
The InChIKey is SRXSDRQHGNXVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.C2H6/c1-4-5-6(2)7(3)8(9)10;1-2/h6H,3-5H2,1-2H3,(H2,9,10);1-2H3.
What are the key properties of ethane;3-methyl-2-methylidenehexanamide?
ethane;3-methyl-2-methylidenehexanamide has a molecular weight of 171.28 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 ethane;3-methyl-2-methylidenehexanamide is sourced from PubChem (CID 145466339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).