1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide

C14H24N2O — CID 106828117

IUPAC1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1(C(=O)NCC2=CCNCC2)CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(7-3-2-4-8-14)13(17)16-11-12-5-9-15-10-6-12/h5,15H,2-4,6-11H2,1H3,(H,16,17)
InChIKeyCOFGYFYOVAKJBC-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.99
Rot. Bonds3

About 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide

1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide (PubChem CID 106828117) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
PubChem CID106828117
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
SMILESCC1(C(=O)NCC2=CCNCC2)CCCCC1
InChIInChI=1S/C14H24N2O/c1-14(7-3-2-4-8-14)13(17)16-11-12-5-9-15-10-6-12/h5,15H,2-4,6-11H2,1H3,(H,16,17)
InChIKeyCOFGYFYOVAKJBC-UHFFFAOYSA-N
XLogP1.99
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Cyclohexene-1-acetamide, 4-cyclohexyl-N-ethyl-alpha-methyl-
CID 206764
N-[2-(1-cyclohexen-1-yl)ethyl]-2-cyclohexylacetamide
CID 848109
N-[2-(cyclohexen-1-yl)ethyl]cyclohexanecarboxamide
CID 4621429
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]hexadecanamide
CID 85426238
N-[2-(1-but-2-yn-1-yl-1,2,5,6-tetrahydropyridin-3-yl)ethyl]cyclohexanecarboxamide
CID 50975791
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]tetradecanamide
CID 91376598
N-[3,7-dimethyl-9-(2,6,6-trimethylcyclohexen-1-yl)nona-2,4,6,8-tetraenyl]octadecanamide
CID 91402828
4,4-difluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
CID 107487199
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-3-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487201
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 107487453
4,4-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 113618277
3,3-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide
CID 114226523

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide?
The IUPAC name of 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide (CID 106828117) is 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide?
The canonical SMILES for 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide is CC1(C(=O)NCC2=CCNCC2)CCCCC1.
What is the InChIKey of 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide?
The InChIKey is COFGYFYOVAKJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(7-3-2-4-8-14)13(17)16-11-12-5-9-15-10-6-12/h5,15H,2-4,6-11H2,1H3,(H,16,17).
What are the key properties of 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide?
1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide has a molecular weight of 236.36 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)cyclohexane-1-carboxamide is sourced from PubChem (CID 106828117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).