cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone

C15H27NO — CID 79074263

IUPACcyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)C2CCCC2)CCCCCC1
InChIInChI=1S/C15H27NO/c1-16(2)15(11-7-3-4-8-12-15)14(17)13-9-5-6-10-13/h13H,3-12H2,1-2H3
InChIKeyQQOUOFAOZUXPMM-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.40
Rot. Bonds3

About cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone

cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone (PubChem CID 79074263) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone.

Molecular Properties

Compound Namecyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
PubChem CID79074263
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Namecyclopentyl-[1-(dimethylamino)cycloheptyl]methanone
SMILESCN(C)C1(C(=O)C2CCCC2)CCCCCC1
InChIInChI=1S/C15H27NO/c1-16(2)15(11-7-3-4-8-12-15)14(17)13-9-5-6-10-13/h13H,3-12H2,1-2H3
InChIKeyQQOUOFAOZUXPMM-UHFFFAOYSA-N
XLogP3.40
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(dimethylamino)cycloheptyl]-(4-methylcyclohexyl)methanone
CID 79074780
[1-(dimethylamino)cyclopentyl]-(oxan-4-yl)methanone
CID 79067927
[1-(dimethylamino)cyclopentyl]-(3,5-dimethylcyclohexyl)methanone
CID 79067139
[1-(dimethylamino)cyclopentyl]-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 79909690
cycloheptyl-(1-methylcyclopropyl)methanone
CID 82931087
[1-(dimethylamino)-4-methylcyclohexyl]-(oxan-4-yl)methanone
CID 79066312
[1-(dimethylamino)-3-methylcyclohexyl]-(4-ethylcyclohexyl)methanone
CID 79074454
1-(cyclohexanecarbonyl)cyclopentane-1-carboxylic acid
CID 71397713
methyl 1-(cyclohexanecarbonyl)cyclopentane-1-carboxylate
CID 86032641
(2-amino-1-methylcyclopentyl)-cyclohexylmethanone
CID 116607149
cyclohexyl-(3-ethylpyrrolidin-3-yl)methanone
CID 116570196
[1-(diethylamino)cyclopentyl]-(oxan-4-yl)methanone
CID 79070861

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone?
The IUPAC name of cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone (CID 79074263) is cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone.
What is the SMILES notation for cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone?
The canonical SMILES for cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone is CN(C)C1(C(=O)C2CCCC2)CCCCCC1.
What is the InChIKey of cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone?
The InChIKey is QQOUOFAOZUXPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-16(2)15(11-7-3-4-8-12-15)14(17)13-9-5-6-10-13/h13H,3-12H2,1-2H3.
What are the key properties of cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone?
cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone has a molecular weight of 237.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-[1-(dimethylamino)cycloheptyl]methanone is sourced from PubChem (CID 79074263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).