N-ethanimidoyl-N,4-dimethylhexanamide

C10H20N2O — CID 121478441

IUPACN-ethanimidoyl-N,4-dimethylhexanamide
SMILES[H]/N=C(\C)N(C)C(=O)CCC(C)CC
InChIInChI=1S/C10H20N2O/c1-5-8(2)6-7-10(13)12(4)9(3)11/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyPOLYNRKJBIYXII-PKNBQFBNSA-N
MW184.28 g/mol
LogP2.27
Rot. Bonds4

About N-ethanimidoyl-N,4-dimethylhexanamide

N-ethanimidoyl-N,4-dimethylhexanamide (PubChem CID 121478441) has the molecular formula C10H20N2O and a molecular weight of 184.28 g/mol. Its IUPAC name is N-ethanimidoyl-N,4-dimethylhexanamide.

Molecular Properties

Compound NameN-ethanimidoyl-N,4-dimethylhexanamide
PubChem CID121478441
Molecular FormulaC10H20N2O
Molecular Weight184.28 g/mol
Exact Mass184.16
IUPAC NameN-ethanimidoyl-N,4-dimethylhexanamide
SMILES[H]/N=C(\C)N(C)C(=O)CCC(C)CC
InChIInChI=1S/C10H20N2O/c1-5-8(2)6-7-10(13)12(4)9(3)11/h8,11H,5-7H2,1-4H3/b11-9+
InChIKeyPOLYNRKJBIYXII-PKNBQFBNSA-N
XLogP2.27
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethanimidoyl-N,4-dimethylhexanamide?
The IUPAC name of N-ethanimidoyl-N,4-dimethylhexanamide (CID 121478441) is N-ethanimidoyl-N,4-dimethylhexanamide.
What is the SMILES notation for N-ethanimidoyl-N,4-dimethylhexanamide?
The canonical SMILES for N-ethanimidoyl-N,4-dimethylhexanamide is [H]/N=C(\C)N(C)C(=O)CCC(C)CC.
What is the InChIKey of N-ethanimidoyl-N,4-dimethylhexanamide?
The InChIKey is POLYNRKJBIYXII-PKNBQFBNSA-N. The full InChI is InChI=1S/C10H20N2O/c1-5-8(2)6-7-10(13)12(4)9(3)11/h8,11H,5-7H2,1-4H3/b11-9+.
What are the key properties of N-ethanimidoyl-N,4-dimethylhexanamide?
N-ethanimidoyl-N,4-dimethylhexanamide has a molecular weight of 184.28 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyl-N,4-dimethylhexanamide is sourced from PubChem (CID 121478441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).