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

C15H28N2O — CID 102706831

IUPAC(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)C(C(=O)N2CCC(C)(C)C2)CC1N
InChIInChI=1S/C15H28N2O/c1-10-7-11(2)13(16)8-12(10)14(18)17-6-5-15(3,4)9-17/h10-13H,5-9,16H2,1-4H3
InChIKeyJARYSUZMHDURMH-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.25
Rot. Bonds1

About (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone

(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (PubChem CID 102706831) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
PubChem CID102706831
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)C(C(=O)N2CCC(C)(C)C2)CC1N
InChIInChI=1S/C15H28N2O/c1-10-7-11(2)13(16)8-12(10)14(18)17-6-5-15(3,4)9-17/h10-13H,5-9,16H2,1-4H3
InChIKeyJARYSUZMHDURMH-UHFFFAOYSA-N
XLogP2.25
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5-amino-2,4-dimethylcyclohexyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 102706478
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 102706729
(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 102706777
2-(3,3-dimethylpyrrolidine-1-carbonyl)-4-ethylcyclopentane-1-carboxylic acid
CID 114511965
(5-amino-2,4-dimethylcyclohexyl)-(3-ethyl-4-methylpiperazin-1-yl)methanone
CID 102706745
(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
CID 102706440
2-(4,4-dimethylpiperidine-1-carbonyl)cyclopropane-1-carboxylic acid
CID 62936035
(5-amino-2,4-dimethylcyclohexyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 102706941
(3,3-dimethylpyrrolidin-1-yl)-(1-methylazetidin-3-yl)methanone;ethane
CID 144942313
(5-amino-2,4-dimethylcyclohexyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 102706928
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-amino-2,4-dimethylcyclohexyl)methanone
CID 102728751

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone (CID 102706831) is (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is CC1CC(C)C(C(=O)N2CCC(C)(C)C2)CC1N.
What is the InChIKey of (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
The InChIKey is JARYSUZMHDURMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-10-7-11(2)13(16)8-12(10)14(18)17-6-5-15(3,4)9-17/h10-13H,5-9,16H2,1-4H3.
What are the key properties of (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone?
(5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2,4-dimethylcyclohexyl)-(3,3-dimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 102706831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).