(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone

C15H28N2O — CID 62717919

IUPAC(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCC(N)C2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-6-4-11(5-7-12)14(18)17-9-8-13(16)10-17/h11-13H,4-10,16H2,1-3H3
InChIKeyQZHJEJSEFXPBSV-UHFFFAOYSA-N
MW252.40 g/mol
LogP2.40
Rot. Bonds1

About (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone

(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone (PubChem CID 62717919) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
PubChem CID62717919
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone
SMILESCC(C)(C)C1CCC(C(=O)N2CCC(N)C2)CC1
InChIInChI=1S/C15H28N2O/c1-15(2,3)12-6-4-11(5-7-12)14(18)17-9-8-13(16)10-17/h11-13H,4-10,16H2,1-3H3
InChIKeyQZHJEJSEFXPBSV-UHFFFAOYSA-N
XLogP2.40
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 ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)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

1-[1-(4-tert-butylcyclohexanecarbonyl)pyrrolidin-3-yl]-3,3-dimethylbutan-2-one
CID 170668540
(3-aminocyclopentyl)-(4-tert-butylpiperidin-1-yl)methanone
CID 66009012
(4-tert-butylcyclohexyl)-(3,9-diazabicyclo[4.2.1]nonan-3-yl)methanone
CID 81486762
[(3R)-3-aminopyrrolidin-1-yl]-(4-butylcyclohexyl)methanone
CID 81469957
[(3S)-3-aminopyrrolidin-1-yl]-cyclooctylmethanone;hydrochloride
CID 119934542
(4-tert-butylcyclohexyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 62718074
1-[3-[(3R)-3-aminopyrrolidine-1-carbonyl]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 119413592
(4-tert-butylcyclohexyl)-morpholin-4-ylmethanone;ethane
CID 164918983
(3-aminopiperidin-1-yl)-(4-methylcyclohexyl)methanone
CID 81458507
[2-(1-aminoethyl)morpholin-4-yl]-(4-tert-butylcyclohexyl)methanone
CID 81485314
(4-tert-butylpiperidin-1-yl)-(1-methylazetidin-3-yl)methanone
CID 171417283
1-(4-tert-butylcyclohexanecarbonyl)-3-ethylpiperidin-4-one
CID 114508264

Frequently Asked Questions

What is the IUPAC name of (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone?
The IUPAC name of (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone (CID 62717919) is (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone.
What is the SMILES notation for (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone?
The canonical SMILES for (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone is CC(C)(C)C1CCC(C(=O)N2CCC(N)C2)CC1.
What is the InChIKey of (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone?
The InChIKey is QZHJEJSEFXPBSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-15(2,3)12-6-4-11(5-7-12)14(18)17-9-8-13(16)10-17/h11-13H,4-10,16H2,1-3H3.
What are the key properties of (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone?
(3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone has a molecular weight of 252.40 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopyrrolidin-1-yl)-(4-tert-butylcyclohexyl)methanone is sourced from PubChem (CID 62717919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).