1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone

C18H31N3O — CID 59215658

IUPAC1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone
SMILESCC(=O)C1C(C2CCCCC2)C2C3CNCCC3NC2N1C
InChIInChI=1S/C18H31N3O/c1-11(22)17-15(12-6-4-3-5-7-12)16-13-10-19-9-8-14(13)20-18(16)21(17)2/h12-20H,3-10H2,1-2H3
InChIKeyLCQNOOSLJFDOAP-UHFFFAOYSA-N
MW305.47 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone

1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone (PubChem CID 59215658) has the molecular formula C18H31N3O and a molecular weight of 305.47 g/mol. Its IUPAC name is 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone
PubChem CID59215658
Molecular FormulaC18H31N3O
Molecular Weight305.47 g/mol
Exact Mass305.25
IUPAC Name1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone
SMILESCC(=O)C1C(C2CCCCC2)C2C3CNCCC3NC2N1C
InChIInChI=1S/C18H31N3O/c1-11(22)17-15(12-6-4-3-5-7-12)16-13-10-19-9-8-14(13)20-18(16)21(17)2/h12-20H,3-10H2,1-2H3
InChIKeyLCQNOOSLJFDOAP-UHFFFAOYSA-N
XLogP1.61
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.47
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone with MolForge

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Related Compounds

1-(5-tert-butyl-3-cyclohexyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)-2,2-dimethylpropan-1-one
CID 58341385
1-(3-methyl-1-propan-2-yl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)ethanone
CID 59215649
1-(1-tert-butyl-3-methyl-2,3a,4,4a,5,6,7,8,8a,8b-decahydro-1H-pyrrolo[2,3-b]indol-2-yl)-2-methylpropan-1-one
CID 67518496
3-cyclohexylpiperidine-4-carboxamide
CID 174458601
3,4-di(cyclooctyl)piperidine
CID 54064226
3-cyclohexyl-4-methylpiperidine
CID 84718579
4,5-diethyl-3-propan-2-yl-5,7,11-triazatricyclo[6.4.0.02,6]dodecane
CID 71167072
acetic acid;cyclohexylcyclohexane
CID 67293698
1-(6-methyl-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-5-yl)ethanone
CID 58849992
4-cyclohexyl-3-methylpiperidine
CID 79320400
1-[(2S,3R)-1-acetyl-3-cyclopentylpyrrolidin-2-yl]ethanone
CID 143064094
1-(6-methyl-6-azabicyclo[3.2.2]nonan-7-yl)ethanone
CID 70331158

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone?
The IUPAC name of 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone (CID 59215658) is 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone.
What is the SMILES notation for 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone?
The canonical SMILES for 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone is CC(=O)C1C(C2CCCCC2)C2C3CNCCC3NC2N1C.
What is the InChIKey of 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone?
The InChIKey is LCQNOOSLJFDOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3O/c1-11(22)17-15(12-6-4-3-5-7-12)16-13-10-19-9-8-14(13)20-18(16)21(17)2/h12-20H,3-10H2,1-2H3.
What are the key properties of 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone?
1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone has a molecular weight of 305.47 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclohexyl-5-methyl-5,7,11-triazatricyclo[6.4.0.02,6]dodecan-4-yl)ethanone is sourced from PubChem (CID 59215658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).