[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone

C18H33NO — CID 79069711

IUPAC[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
SMILESCCN(CC)C1(C(=O)C2CC(C)CC(C)C2)CCCC1
InChIInChI=1S/C18H33NO/c1-5-19(6-2)18(9-7-8-10-18)17(20)16-12-14(3)11-15(4)13-16/h14-16H,5-13H2,1-4H3
InChIKeyAPMMMHLZKPHGHZ-UHFFFAOYSA-N
MW279.47 g/mol
LogP4.28
Rot. Bonds5

About [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone

[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone (PubChem CID 79069711) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone.

Molecular Properties

Compound Name[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
PubChem CID79069711
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
SMILESCCN(CC)C1(C(=O)C2CC(C)CC(C)C2)CCCC1
InChIInChI=1S/C18H33NO/c1-5-19(6-2)18(9-7-8-10-18)17(20)16-12-14(3)11-15(4)13-16/h14-16H,5-13H2,1-4H3
InChIKeyAPMMMHLZKPHGHZ-UHFFFAOYSA-N
XLogP4.28
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone?
The IUPAC name of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone (CID 79069711) is [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone.
What is the SMILES notation for [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone?
The canonical SMILES for [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone is CCN(CC)C1(C(=O)C2CC(C)CC(C)C2)CCCC1.
What is the InChIKey of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone?
The InChIKey is APMMMHLZKPHGHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-5-19(6-2)18(9-7-8-10-18)17(20)16-12-14(3)11-15(4)13-16/h14-16H,5-13H2,1-4H3.
What are the key properties of [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone?
[1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone has a molecular weight of 279.47 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(diethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone is sourced from PubChem (CID 79069711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).