2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide

C16H28N2O — CID 107487477

IUPAC2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCCC1=CCNCC1
InChIInChI=1S/C16H28N2O/c1-16(2)9-4-3-5-14(16)15(19)18-12-8-13-6-10-17-11-7-13/h6,14,17H,3-5,7-12H2,1-2H3,(H,18,19)
InChIKeyBDZCILCLHNBKJL-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.63
Rot. Bonds4

About 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide

2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide (PubChem CID 107487477) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
PubChem CID107487477
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide
SMILESCC1(C)CCCCC1C(=O)NCCC1=CCNCC1
InChIInChI=1S/C16H28N2O/c1-16(2)9-4-3-5-14(16)15(19)18-12-8-13-6-10-17-11-7-13/h6,14,17H,3-5,7-12H2,1-2H3,(H,18,19)
InChIKeyBDZCILCLHNBKJL-UHFFFAOYSA-N
XLogP2.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.63
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

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N-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]adamantane-1-carboxamide
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N-[(2Z)-3,7-dimethylocta-2,6-dienyl]adamantane-1-carboxamide
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(4aS,5S,8aR)-1,1,4a,6-tetramethyl-5-[[3-methylbut-2-enyl-[4-(3-methylbut-2-enylamino)butyl]amino]methyl]-4,5,8,8a-tetrahydro-3H-naphthalen-2-one
CID 56834631
2-[(1S,4S,5S)-4-(cyanomethyl)-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]-N-cyclohexylacetamide
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide (CID 107487477) is 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide is CC1(C)CCCCC1C(=O)NCCC1=CCNCC1.
What is the InChIKey of 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
The InChIKey is BDZCILCLHNBKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-16(2)9-4-3-5-14(16)15(19)18-12-8-13-6-10-17-11-7-13/h6,14,17H,3-5,7-12H2,1-2H3,(H,18,19).
What are the key properties of 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide?
2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide has a molecular weight of 264.41 g/mol, XLogP of 2.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]cyclohexane-1-carboxamide is sourced from PubChem (CID 107487477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).