N-cyclohexylformamide;ethane

C9H19NO — CID 143536975

IUPACN-cyclohexylformamide;ethane
SMILESCC.O=CNC1CCCCC1
InChIInChI=1S/C7H13NO.C2H6/c9-6-8-7-4-2-1-3-5-7;1-2/h6-7H,1-5H2,(H,8,9);1-2H3
InChIKeyMQHFPMRWALWWFC-UHFFFAOYSA-N
MW157.26 g/mol
LogP2.09
Rot. Bonds2

About N-cyclohexylformamide;ethane

N-cyclohexylformamide;ethane (PubChem CID 143536975) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is N-cyclohexylformamide;ethane.

Molecular Properties

Compound NameN-cyclohexylformamide;ethane
PubChem CID143536975
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC NameN-cyclohexylformamide;ethane
SMILESCC.O=CNC1CCCCC1
InChIInChI=1S/C7H13NO.C2H6/c9-6-8-7-4-2-1-3-5-7;1-2/h6-7H,1-5H2,(H,8,9);1-2H3
InChIKeyMQHFPMRWALWWFC-UHFFFAOYSA-N
XLogP2.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

sodium;N-cyclohexylformamide;hydride
CID 173020638
N-cyclobutylformamide;methanol
CID 142523729
ethane;N-(3-methylcyclohexyl)formamide
CID 145231025
ethane;N-piperidin-4-ylformamide
CID 142035291
N-cyclohexylcyclohexanamine;ethane
CID 67925930
N-cyclohexylformamide;1-phenylethanone
CID 174611681
N-cyclohexylformamide;(1R,5S,6S)-2-methyl-5-propan-2-ylbicyclo[4.1.0]heptane
CID 143658127
N-cyclooct-3-en-1-ylformamide
CID 163931375
fluoromethane;N-piperidin-4-ylformamide
CID 144898161
N-(1-cyclohexylpyrrolidin-3-yl)formamide
CID 88805980
methane;N-(4-oxocyclohexyl)formamide
CID 143383333
N-[5-(2-methylbutanoyl)cyclooctyl]formamide
CID 170223710

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylformamide;ethane?
The IUPAC name of N-cyclohexylformamide;ethane (CID 143536975) is N-cyclohexylformamide;ethane.
What is the SMILES notation for N-cyclohexylformamide;ethane?
The canonical SMILES for N-cyclohexylformamide;ethane is CC.O=CNC1CCCCC1.
What is the InChIKey of N-cyclohexylformamide;ethane?
The InChIKey is MQHFPMRWALWWFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H6/c9-6-8-7-4-2-1-3-5-7;1-2/h6-7H,1-5H2,(H,8,9);1-2H3.
What are the key properties of N-cyclohexylformamide;ethane?
N-cyclohexylformamide;ethane has a molecular weight of 157.26 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylformamide;ethane is sourced from PubChem (CID 143536975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).