2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone

C17H30N2O — CID 164633620

IUPAC2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
SMILESCC1CCC(CC(=O)N2CC[C@]3(CCN(C)C3)C2)CC1
InChIInChI=1S/C17H30N2O/c1-14-3-5-15(6-4-14)11-16(20)19-10-8-17(13-19)7-9-18(2)12-17/h14-15H,3-13H2,1-2H3/t14?,15?,17-/m0/s1
InChIKeyROSLWCUZNVGJJM-DQPZFDDXSA-N
MW278.44 g/mol
LogP2.76
Rot. Bonds2

About 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone

2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone (PubChem CID 164633620) has the molecular formula C17H30N2O and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone.

Molecular Properties

Compound Name2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
PubChem CID164633620
Molecular FormulaC17H30N2O
Molecular Weight278.44 g/mol
Exact Mass278.24
IUPAC Name2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone
SMILESCC1CCC(CC(=O)N2CC[C@]3(CCN(C)C3)C2)CC1
InChIInChI=1S/C17H30N2O/c1-14-3-5-15(6-4-14)11-16(20)19-10-8-17(13-19)7-9-18(2)12-17/h14-15H,3-13H2,1-2H3/t14?,15?,17-/m0/s1
InChIKeyROSLWCUZNVGJJM-DQPZFDDXSA-N
XLogP2.76
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
The IUPAC name of 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone (CID 164633620) is 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone.
What is the SMILES notation for 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
The canonical SMILES for 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone is CC1CCC(CC(=O)N2CC[C@]3(CCN(C)C3)C2)CC1.
What is the InChIKey of 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
The InChIKey is ROSLWCUZNVGJJM-DQPZFDDXSA-N. The full InChI is InChI=1S/C17H30N2O/c1-14-3-5-15(6-4-14)11-16(20)19-10-8-17(13-19)7-9-18(2)12-17/h14-15H,3-13H2,1-2H3/t14?,15?,17-/m0/s1.
What are the key properties of 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone?
2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone has a molecular weight of 278.44 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylcyclohexyl)-1-[(5S)-7-methyl-2,7-diazaspiro[4.4]nonan-2-yl]ethanone is sourced from PubChem (CID 164633620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).