N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane

C27H55NO2 — CID 143376248

IUPACN-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane
SMILESCC.CC1CCCCC1.CCC(C)C=O.CCCCCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H25NO.C7H14.C5H10O.C2H6/c1-3-4-6-11-13(15)14(2)12-9-7-5-8-10-12;1-7-5-3-2-4-6-7;1-3-5(2)4-6;1-2/h12H,3-11H2,1-2H3;7H,2-6H2,1H3;4-5H,3H2,1-2H3;1-2H3
InChIKeyYTKJMIDLYOJVKO-UHFFFAOYSA-N
MW425.74 g/mol
LogP8.20
Rot. Bonds7

About N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane

N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane (PubChem CID 143376248) has the molecular formula C27H55NO2 and a molecular weight of 425.74 g/mol. Its IUPAC name is N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane.

Molecular Properties

Compound NameN-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane
PubChem CID143376248
Molecular FormulaC27H55NO2
Molecular Weight425.74 g/mol
Exact Mass425.42
IUPAC NameN-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane
SMILESCC.CC1CCCCC1.CCC(C)C=O.CCCCCC(=O)N(C)C1CCCCC1
InChIInChI=1S/C13H25NO.C7H14.C5H10O.C2H6/c1-3-4-6-11-13(15)14(2)12-9-7-5-8-10-12;1-7-5-3-2-4-6-7;1-3-5(2)4-6;1-2/h12H,3-11H2,1-2H3;7H,2-6H2,1H3;4-5H,3H2,1-2H3;1-2H3
InChIKeyYTKJMIDLYOJVKO-UHFFFAOYSA-N
XLogP8.20
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.74
LogP ≤ 58.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane?
The IUPAC name of N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane (CID 143376248) is N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane.
What is the SMILES notation for N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane?
The canonical SMILES for N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane is CC.CC1CCCCC1.CCC(C)C=O.CCCCCC(=O)N(C)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane?
The InChIKey is YTKJMIDLYOJVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO.C7H14.C5H10O.C2H6/c1-3-4-6-11-13(15)14(2)12-9-7-5-8-10-12;1-7-5-3-2-4-6-7;1-3-5(2)4-6;1-2/h12H,3-11H2,1-2H3;7H,2-6H2,1H3;4-5H,3H2,1-2H3;1-2H3.
What are the key properties of N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane?
N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane has a molecular weight of 425.74 g/mol, XLogP of 8.20, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methylhexanamide;ethane;2-methylbutanal;methylcyclohexane is sourced from PubChem (CID 143376248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).