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

C14H25NO — CID 116570043

IUPAC(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC1CCC(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C14H25NO/c1-3-11-4-6-12(7-5-11)13(16)14(2)8-9-15-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyYWYYMPNAYUEXAX-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds3

About (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone

(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 116570043) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID116570043
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCCC1CCC(C(=O)C2(C)CCNC2)CC1
InChIInChI=1S/C14H25NO/c1-3-11-4-6-12(7-5-11)13(16)14(2)8-9-15-10-14/h11-12,15H,3-10H2,1-2H3
InChIKeyYWYYMPNAYUEXAX-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

(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569887
(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569925
N-(4-ethylcyclohexyl)-4-methylpiperidine-4-carboxamide
CID 63122348
N-(cyclopropylmethyl)-3-methylpyrrolidine-3-carboxamide
CID 63140909
(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
CID 107138363
N-(cyclopropylmethyl)-3-methyl-N-propylpyrrolidine-3-carboxamide
CID 63138956
cyclopropyl-(3-propylpyrrolidin-3-yl)methanone
CID 116570693
[1-(aminomethyl)cyclopentyl]-(4-ethylcyclohexyl)methanone
CID 116600979
4-ethyl-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]cyclohexan-1-amine;hydrochloride
CID 120898331
N-(3-cyclopropylpropyl)-3-methylpyrrolidine-3-carboxamide
CID 115740541
(4-ethylcyclohexyl)-piperazin-1-ylmethanone
CID 118883051
4-ethyl-1-[(4-methylpiperidine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 63122559

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone (CID 116570043) is (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone is CCC1CCC(C(=O)C2(C)CCNC2)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is YWYYMPNAYUEXAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-11-4-6-12(7-5-11)13(16)14(2)8-9-15-10-14/h11-12,15H,3-10H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
(4-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 (4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116570043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).