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

C14H26N2O — CID 102706440

IUPAC(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)C(C(=O)N2CCCC2C)CC1N
InChIInChI=1S/C14H26N2O/c1-9-7-10(2)13(15)8-12(9)14(17)16-6-4-5-11(16)3/h9-13H,4-8,15H2,1-3H3
InChIKeyXTFCBKPMHQHRMW-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.01
Rot. Bonds1

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

(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 102706440) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
PubChem CID102706440
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CC(C)C(C(=O)N2CCCC2C)CC1N
InChIInChI=1S/C14H26N2O/c1-9-7-10(2)13(15)8-12(9)14(17)16-6-4-5-11(16)3/h9-13H,4-8,15H2,1-3H3
InChIKeyXTFCBKPMHQHRMW-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-methylcyclopropyl)-(2-methylpyrrolidin-1-yl)methanone
CID 123276609
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-amino-2,4-dimethylcyclohexyl)methanone
CID 102728751
(5-amino-2,4-dimethylcyclohexyl)-[(2R,6S)-2,6-dimethylpiperidin-1-yl]methanone
CID 102706941
(5-amino-2,4-dimethylcyclohexyl)-(2,4-dimethylpyrrolidin-1-yl)methanone
CID 102706928
(2-aminocyclohexyl)-(2-methylpiperidin-1-yl)methanone
CID 62775944
(4-aminooxolan-3-yl)-(2-methylpyrrolidin-1-yl)methanone
CID 66236454
(5-amino-2,4-dimethylcyclohexyl)-(4-propan-2-ylazepan-1-yl)methanone
CID 102706777
(5-amino-2,4-dimethylcyclohexyl)-(3,5-dimethylpiperidin-1-yl)methanone
CID 102706478
2-(2-methylpiperidine-1-carbonyl)cyclobutane-1-carboxylic acid
CID 120974339
(5-amino-2,4-dimethylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 102706729
(5-amino-2,4-dimethylcyclohexyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 102706931
(5-amino-2,4-dimethylcyclohexyl)-(4-tert-butylpiperazin-1-yl)methanone
CID 102706693

Frequently Asked Questions

What is the IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone (CID 102706440) is (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone is CC1CC(C)C(C(=O)N2CCCC2C)CC1N.
What is the InChIKey of (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is XTFCBKPMHQHRMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-9-7-10(2)13(15)8-12(9)14(17)16-6-4-5-11(16)3/h9-13H,4-8,15H2,1-3H3.
What are the key properties of (5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone?
(5-amino-2,4-dimethylcyclohexyl)-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 238.37 g/mol, XLogP of 2.01, 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)-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 102706440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).