6-(ethylamino)-2-methylidenehexanamide

C9H18N2O — CID 118536844

IUPAC6-(ethylamino)-2-methylidenehexanamide
SMILESC=C(CCCCNCC)C(N)=O
InChIInChI=1S/C9H18N2O/c1-3-11-7-5-4-6-8(2)9(10)12/h11H,2-7H2,1H3,(H2,10,12)
InChIKeyNXPUQZMADRGAFW-UHFFFAOYSA-N
MW170.26 g/mol
LogP0.81
Rot. Bonds7

About 6-(ethylamino)-2-methylidenehexanamide

6-(ethylamino)-2-methylidenehexanamide (PubChem CID 118536844) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 6-(ethylamino)-2-methylidenehexanamide.

Molecular Properties

Compound Name6-(ethylamino)-2-methylidenehexanamide
PubChem CID118536844
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name6-(ethylamino)-2-methylidenehexanamide
SMILESC=C(CCCCNCC)C(N)=O
InChIInChI=1S/C9H18N2O/c1-3-11-7-5-4-6-8(2)9(10)12/h11H,2-7H2,1H3,(H2,10,12)
InChIKeyNXPUQZMADRGAFW-UHFFFAOYSA-N
XLogP0.81
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(ethylamino)-2-methylidenehexanamide?
The IUPAC name of 6-(ethylamino)-2-methylidenehexanamide (CID 118536844) is 6-(ethylamino)-2-methylidenehexanamide.
What is the SMILES notation for 6-(ethylamino)-2-methylidenehexanamide?
The canonical SMILES for 6-(ethylamino)-2-methylidenehexanamide is C=C(CCCCNCC)C(N)=O.
What is the InChIKey of 6-(ethylamino)-2-methylidenehexanamide?
The InChIKey is NXPUQZMADRGAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-11-7-5-4-6-8(2)9(10)12/h11H,2-7H2,1H3,(H2,10,12).
What are the key properties of 6-(ethylamino)-2-methylidenehexanamide?
6-(ethylamino)-2-methylidenehexanamide has a molecular weight of 170.26 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethylamino)-2-methylidenehexanamide is sourced from PubChem (CID 118536844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).