N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide

C15H27FN2O2 — CID 123837338

IUPACN-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide
SMILESCC1(F)CCC(CC2COCCN2CCNC=O)CC1
InChIInChI=1S/C15H27FN2O2/c1-15(16)4-2-13(3-5-15)10-14-11-20-9-8-18(14)7-6-17-12-19/h12-14H,2-11H2,1H3,(H,17,19)
InChIKeyCBVRRCQYVHDFLW-UHFFFAOYSA-N
MW286.39 g/mol
LogP1.74
Rot. Bonds6

About N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide

N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide (PubChem CID 123837338) has the molecular formula C15H27FN2O2 and a molecular weight of 286.39 g/mol. Its IUPAC name is N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide.

Molecular Properties

Compound NameN-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide
PubChem CID123837338
Molecular FormulaC15H27FN2O2
Molecular Weight286.39 g/mol
Exact Mass286.21
IUPAC NameN-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide
SMILESCC1(F)CCC(CC2COCCN2CCNC=O)CC1
InChIInChI=1S/C15H27FN2O2/c1-15(16)4-2-13(3-5-15)10-14-11-20-9-8-18(14)7-6-17-12-19/h12-14H,2-11H2,1H3,(H,17,19)
InChIKeyCBVRRCQYVHDFLW-UHFFFAOYSA-N
XLogP1.74
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.39
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide?
The IUPAC name of N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide (CID 123837338) is N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide.
What is the SMILES notation for N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide?
The canonical SMILES for N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide is CC1(F)CCC(CC2COCCN2CCNC=O)CC1.
What is the InChIKey of N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide?
The InChIKey is CBVRRCQYVHDFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27FN2O2/c1-15(16)4-2-13(3-5-15)10-14-11-20-9-8-18(14)7-6-17-12-19/h12-14H,2-11H2,1H3,(H,17,19).
What are the key properties of N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide?
N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide has a molecular weight of 286.39 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(4-fluoro-4-methylcyclohexyl)methyl]morpholin-4-yl]ethyl]formamide is sourced from PubChem (CID 123837338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).