(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone

C14H25NO — CID 116569887

IUPAC(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC1CCCC(C(=O)C2(C)CCNC2)C1
InChIInChI=1S/C14H25NO/c1-3-11-5-4-6-12(9-11)13(16)14(2)7-8-15-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyKAGMDCUSTDZOBO-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds3

About (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone

(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 116569887) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID116569887
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC1CCCC(C(=O)C2(C)CCNC2)C1
InChIInChI=1S/C14H25NO/c1-3-11-5-4-6-12(9-11)13(16)14(2)7-8-15-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyKAGMDCUSTDZOBO-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570043
(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569925
(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
CID 107138363
[1-(aminomethyl)cyclopropyl]-(3-ethylcyclohexyl)methanone
CID 116601132
(3-ethylcyclohexyl)-[1-(2-methylpropyl)cyclopentyl]methanone
CID 114976433
(3-ethylcyclohexyl)-pyrrolidin-3-ylmethanone
CID 116568230
(3-ethylcyclohexyl)-(3-ethylcyclopentyl)methanone
CID 65406793
(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572823
N-(cyclopentylmethyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 63657339
N-(cyclohexylmethyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119672528
N-(3-ethylcyclohexyl)-3-propan-2-ylpyrrolidine-3-carboxamide
CID 106980796
2-amino-1-(3-ethylcyclohexyl)ethanone
CID 116548368

Frequently Asked Questions

What is the IUPAC name of (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone (CID 116569887) is (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone is CCC1CCCC(C(=O)C2(C)CCNC2)C1.
What is the InChIKey of (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is KAGMDCUSTDZOBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-11-5-4-6-12(9-11)13(16)14(2)7-8-15-10-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 223.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116569887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).