cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone

C15H27NO — CID 70909624

IUPACcyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone
SMILESCCC1CCC(C)CN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H27NO/c1-3-13-9-8-12(2)10-16(11-13)15(17)14-6-4-5-7-14/h12-14H,3-11H2,1-2H3
InChIKeyPKTLBJGXWCVCDU-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.46
Rot. Bonds2

About cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone

cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone (PubChem CID 70909624) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone.

Molecular Properties

Compound Namecyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone
PubChem CID70909624
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Namecyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone
SMILESCCC1CCC(C)CN(C(=O)C2CCCC2)C1
InChIInChI=1S/C15H27NO/c1-3-13-9-8-12(2)10-16(11-13)15(17)14-6-4-5-7-14/h12-14H,3-11H2,1-2H3
InChIKeyPKTLBJGXWCVCDU-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
[4-(aminomethyl)cyclohexyl]-(3-ethylpiperidin-1-yl)methanone
CID 62806234
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
cis-(1S,3R)-3-(3-ethylpiperidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 114091790
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
(3-amino-4-ethylpiperidin-1-yl)-cyclopentylmethanone
CID 165439908
1-(3-ethylazepan-1-yl)prop-2-en-1-one
CID 130328432
cyclohexyl-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)methanone
CID 121185224
cyclohexyl-(2,6-dimethylmorpholin-4-yl)methanone
CID 2915019
[3-(aminomethyl)pyrrolidin-1-yl]-cyclohexylmethanone
CID 62067909
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
cyclopentyl-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone;hydrochloride
CID 119538344

Frequently Asked Questions

What is the IUPAC name of cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone?
The IUPAC name of cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone (CID 70909624) is cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone.
What is the SMILES notation for cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone?
The canonical SMILES for cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone is CCC1CCC(C)CN(C(=O)C2CCCC2)C1.
What is the InChIKey of cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone?
The InChIKey is PKTLBJGXWCVCDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-13-9-8-12(2)10-16(11-13)15(17)14-6-4-5-7-14/h12-14H,3-11H2,1-2H3.
What are the key properties of cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone?
cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone has a molecular weight of 237.39 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyl-(3-ethyl-6-methylazepan-1-yl)methanone is sourced from PubChem (CID 70909624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).