9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane

C18H36N2O — CID 166490143

IUPAC9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane
SMILESCCC.[H]/N=C/CCCCCCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H28N2O.C3H8/c1-14-9-12-17(13-10-14)15(18)8-6-4-2-3-5-7-11-16;1-3-2/h11,14,16H,2-10,12-13H2,1H3;3H2,1-2H3/b16-11+;
InChIKeyYGIQFEGNDNOTRF-YFMOEUEHSA-N
MW296.50 g/mol
LogP5.04
Rot. Bonds8

About 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane

9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane (PubChem CID 166490143) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane.

Molecular Properties

Compound Name9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane
PubChem CID166490143
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane
SMILESCCC.[H]/N=C/CCCCCCCC(=O)N1CCC(C)CC1
InChIInChI=1S/C15H28N2O.C3H8/c1-14-9-12-17(13-10-14)15(18)8-6-4-2-3-5-7-11-16;1-3-2/h11,14,16H,2-10,12-13H2,1H3;3H2,1-2H3/b16-11+;
InChIKeyYGIQFEGNDNOTRF-YFMOEUEHSA-N
XLogP5.04
TPSA44.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.50
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane?
The IUPAC name of 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane (CID 166490143) is 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane.
What is the SMILES notation for 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane?
The canonical SMILES for 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane is CCC.[H]/N=C/CCCCCCCC(=O)N1CCC(C)CC1.
What is the InChIKey of 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane?
The InChIKey is YGIQFEGNDNOTRF-YFMOEUEHSA-N. The full InChI is InChI=1S/C15H28N2O.C3H8/c1-14-9-12-17(13-10-14)15(18)8-6-4-2-3-5-7-11-16;1-3-2/h11,14,16H,2-10,12-13H2,1H3;3H2,1-2H3/b16-11+;.
What are the key properties of 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane?
9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane has a molecular weight of 296.50 g/mol, XLogP of 5.04, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-imino-1-(4-methylpiperidin-1-yl)nonan-1-one;propane is sourced from PubChem (CID 166490143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).