(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

C14H26N2O — CID 79186972

IUPAC(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC(N)C2C)CC1C
InChIInChI=1S/C14H26N2O/c1-9-7-16(8-10(9)2)14(17)12-5-4-6-13(15)11(12)3/h9-13H,4-8,15H2,1-3H3
InChIKeyQCJRGSLANKQZPK-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.86
Rot. Bonds1

About (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone

(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (PubChem CID 79186972) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
PubChem CID79186972
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CN(C(=O)C2CCCC(N)C2C)CC1C
InChIInChI=1S/C14H26N2O/c1-9-7-16(8-10(9)2)14(17)12-5-4-6-13(15)11(12)3/h9-13H,4-8,15H2,1-3H3
InChIKeyQCJRGSLANKQZPK-UHFFFAOYSA-N
XLogP1.86
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-amino-2-methylcyclohexyl)-(2,6-dimethylmorpholin-4-yl)methanone
CID 62777748
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl-(3-amino-2-methylcyclohexyl)methanone
CID 62781364
2-(3,4-dimethylpyrrolidine-1-carbonyl)cyclopentane-1-carboxylic acid
CID 103978927
[2-(aminomethyl)cyclopentyl]-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 79180772
(3-amino-2-methylcyclohexyl)-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 63174686
(3-amino-2-methylcyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 112629300
(3-amino-2-methylcyclohexyl)-(2-ethylmorpholin-4-yl)methanone
CID 62781194
(2-aminocyclohexyl)-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]methanone
CID 81464588
(2-aminocyclopentyl)-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]methanone
CID 107220787
(3-amino-2-methylcyclohexyl)-(4-butan-2-ylpiperazin-1-yl)methanone
CID 62783543
1-(2-methylcyclopentanecarbonyl)azetidine-3-carboxylic acid
CID 107175545
[(1R,2S)-2-aminocyclopentyl]-[(3S,4R)-3-methyl-4-phenylpiperidin-1-yl]methanone
CID 125146424

Frequently Asked Questions

What is the IUPAC name of (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone (CID 79186972) is (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone is CC1CN(C(=O)C2CCCC(N)C2C)CC1C.
What is the InChIKey of (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is QCJRGSLANKQZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-9-7-16(8-10(9)2)14(17)12-5-4-6-13(15)11(12)3/h9-13H,4-8,15H2,1-3H3.
What are the key properties of (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone?
(3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-2-methylcyclohexyl)-(3,4-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 79186972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).