1-[2-(methylamino)ethylimino]hexan-2-one

C9H18N2O — CID 87299474

IUPAC1-[2-(methylamino)ethylimino]hexan-2-one
SMILESCCCCC(=O)/C=N/CCNC
InChIInChI=1S/C9H18N2O/c1-3-4-5-9(12)8-11-7-6-10-2/h8,10H,3-7H2,1-2H3/b11-8+
InChIKeyZRKSFJXFGACAAE-DHZHZOJOSA-N
MW170.26 g/mol
LogP1.04
Rot. Bonds7

About 1-[2-(methylamino)ethylimino]hexan-2-one

1-[2-(methylamino)ethylimino]hexan-2-one (PubChem CID 87299474) has the molecular formula C9H18N2O and a molecular weight of 170.26 g/mol. Its IUPAC name is 1-[2-(methylamino)ethylimino]hexan-2-one.

Molecular Properties

Compound Name1-[2-(methylamino)ethylimino]hexan-2-one
PubChem CID87299474
Molecular FormulaC9H18N2O
Molecular Weight170.26 g/mol
Exact Mass170.14
IUPAC Name1-[2-(methylamino)ethylimino]hexan-2-one
SMILESCCCCC(=O)/C=N/CCNC
InChIInChI=1S/C9H18N2O/c1-3-4-5-9(12)8-11-7-6-10-2/h8,10H,3-7H2,1-2H3/b11-8+
InChIKeyZRKSFJXFGACAAE-DHZHZOJOSA-N
XLogP1.04
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(methylamino)ethylimino]hexan-2-one?
The IUPAC name of 1-[2-(methylamino)ethylimino]hexan-2-one (CID 87299474) is 1-[2-(methylamino)ethylimino]hexan-2-one.
What is the SMILES notation for 1-[2-(methylamino)ethylimino]hexan-2-one?
The canonical SMILES for 1-[2-(methylamino)ethylimino]hexan-2-one is CCCCC(=O)/C=N/CCNC.
What is the InChIKey of 1-[2-(methylamino)ethylimino]hexan-2-one?
The InChIKey is ZRKSFJXFGACAAE-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H18N2O/c1-3-4-5-9(12)8-11-7-6-10-2/h8,10H,3-7H2,1-2H3/b11-8+.
What are the key properties of 1-[2-(methylamino)ethylimino]hexan-2-one?
1-[2-(methylamino)ethylimino]hexan-2-one has a molecular weight of 170.26 g/mol, XLogP of 1.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(methylamino)ethylimino]hexan-2-one is sourced from PubChem (CID 87299474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).