[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone

C14H25NO2 — CID 79074600

IUPAC[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone
SMILESCC1CCCC(C(=O)C2CCOC2)(N(C)C)C1
InChIInChI=1S/C14H25NO2/c1-11-5-4-7-14(9-11,15(2)3)13(16)12-6-8-17-10-12/h11-12H,4-10H2,1-3H3
InChIKeyIUMJDSPMXJQMGE-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.10
Rot. Bonds3

About [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone

[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone (PubChem CID 79074600) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone.

Molecular Properties

Compound Name[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone
PubChem CID79074600
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone
SMILESCC1CCCC(C(=O)C2CCOC2)(N(C)C)C1
InChIInChI=1S/C14H25NO2/c1-11-5-4-7-14(9-11,15(2)3)13(16)12-6-8-17-10-12/h11-12H,4-10H2,1-3H3
InChIKeyIUMJDSPMXJQMGE-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone?
The IUPAC name of [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone (CID 79074600) is [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone.
What is the SMILES notation for [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone?
The canonical SMILES for [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone is CC1CCCC(C(=O)C2CCOC2)(N(C)C)C1.
What is the InChIKey of [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone?
The InChIKey is IUMJDSPMXJQMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-11-5-4-7-14(9-11,15(2)3)13(16)12-6-8-17-10-12/h11-12H,4-10H2,1-3H3.
What are the key properties of [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone?
[1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone has a molecular weight of 239.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-3-methylcyclohexyl]-(oxolan-3-yl)methanone is sourced from PubChem (CID 79074600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).