6-amino-6-ethyl-2-methyloct-2-enamide

C11H22N2O — CID 140635741

IUPAC6-amino-6-ethyl-2-methyloct-2-enamide
SMILESCCC(N)(CC)CCC=C(C)C(N)=O
InChIInChI=1S/C11H22N2O/c1-4-11(13,5-2)8-6-7-9(3)10(12)14/h7H,4-6,8,13H2,1-3H3,(H2,12,14)
InChIKeyIWKURTPIYNDBMN-UHFFFAOYSA-N
MW198.31 g/mol
LogP1.72
Rot. Bonds6

About 6-amino-6-ethyl-2-methyloct-2-enamide

6-amino-6-ethyl-2-methyloct-2-enamide (PubChem CID 140635741) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 6-amino-6-ethyl-2-methyloct-2-enamide.

Molecular Properties

Compound Name6-amino-6-ethyl-2-methyloct-2-enamide
PubChem CID140635741
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name6-amino-6-ethyl-2-methyloct-2-enamide
SMILESCCC(N)(CC)CCC=C(C)C(N)=O
InChIInChI=1S/C11H22N2O/c1-4-11(13,5-2)8-6-7-9(3)10(12)14/h7H,4-6,8,13H2,1-3H3,(H2,12,14)
InChIKeyIWKURTPIYNDBMN-UHFFFAOYSA-N
XLogP1.72
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-methylhex-2-enamide;hydrochloride
CID 141109029
(2E,6R)-6-hydroxy-2,6-dimethylocta-2,7-dienamide
CID 10397471
2-methylhex-2-enamide;propan-1-amine
CID 174435970
2-methylhept-2-enamide;hydrate
CID 172812574
2-methylpent-2-enamide
CID 66895957
(E)-2-methylhexadec-2-enamide
CID 87240184
2-methylnonacos-2-enamide
CID 141002865
6-amino-2-methylhex-2-enamide
CID 54113800
(2E,6E,10E,14E,18E)-2,6,10,14,18-pentamethyl-22-oxotricosa-2,6,10,14,18-pentaenamide
CID 15069733
5,5,5-trihydroxy-2-methylpent-2-enamide
CID 173294065
(E)-5-(2-ethoxyethoxy)-2-methylpent-2-enamide
CID 87862268
N-ethylethanamine;2-methylhept-2-enamide
CID 139534833

Frequently Asked Questions

What is the IUPAC name of 6-amino-6-ethyl-2-methyloct-2-enamide?
The IUPAC name of 6-amino-6-ethyl-2-methyloct-2-enamide (CID 140635741) is 6-amino-6-ethyl-2-methyloct-2-enamide.
What is the SMILES notation for 6-amino-6-ethyl-2-methyloct-2-enamide?
The canonical SMILES for 6-amino-6-ethyl-2-methyloct-2-enamide is CCC(N)(CC)CCC=C(C)C(N)=O.
What is the InChIKey of 6-amino-6-ethyl-2-methyloct-2-enamide?
The InChIKey is IWKURTPIYNDBMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(13,5-2)8-6-7-9(3)10(12)14/h7H,4-6,8,13H2,1-3H3,(H2,12,14).
What are the key properties of 6-amino-6-ethyl-2-methyloct-2-enamide?
6-amino-6-ethyl-2-methyloct-2-enamide has a molecular weight of 198.31 g/mol, XLogP of 1.72, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-6-ethyl-2-methyloct-2-enamide is sourced from PubChem (CID 140635741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).