(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone

C14H25NO — CID 116569925

IUPAC(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1CCC(C(=O)C2(C)CCNC2)CC1C
InChIInChI=1S/C14H25NO/c1-10-4-5-12(8-11(10)2)13(16)14(3)6-7-15-9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyPXNHHWLZFODSBT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.63
Rot. Bonds2

About (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone

(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone (PubChem CID 116569925) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
PubChem CID116569925
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
SMILESCC1CCC(C(=O)C2(C)CCNC2)CC1C
InChIInChI=1S/C14H25NO/c1-10-4-5-12(8-11(10)2)13(16)14(3)6-7-15-9-14/h10-12,15H,4-9H2,1-3H3
InChIKeyPXNHHWLZFODSBT-UHFFFAOYSA-N
XLogP2.63
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116570043
(3-ethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone
CID 116569887
(3-methylpyrrolidin-3-yl)-(oxan-3-yl)methanone
CID 107138363
(3,4-dimethylpyrrolidin-1-yl)-(3-methylpyrrolidin-3-yl)methanone
CID 79180510
(3-methylcyclohexyl)-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572823
2-methyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116569850
1-(3-methylpyrrolidine-3-carbonyl)piperidine-4-carboxylic acid
CID 63141724
(1-amino-3-methylcyclohexyl)-(3,4-dimethylcyclohexyl)methanone
CID 116579223
3-methyl-N-(4-methylcyclohexyl)pyrrolidine-3-carboxamide;hydrochloride
CID 119779385
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
4-methylpiperidine;1-(4-methylpiperidin-4-yl)propan-1-one
CID 90894414

Frequently Asked Questions

What is the IUPAC name of (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The IUPAC name of (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone (CID 116569925) is (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone.
What is the SMILES notation for (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The canonical SMILES for (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone is CC1CCC(C(=O)C2(C)CCNC2)CC1C.
What is the InChIKey of (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
The InChIKey is PXNHHWLZFODSBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-10-4-5-12(8-11(10)2)13(16)14(3)6-7-15-9-14/h10-12,15H,4-9H2,1-3H3.
What are the key properties of (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone?
(3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone has a molecular weight of 223.36 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethylcyclohexyl)-(3-methylpyrrolidin-3-yl)methanone is sourced from PubChem (CID 116569925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).