(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

C16H30N2O2 — CID 102780666

IUPAC(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C1CO
InChIInChI=1S/C16H30N2O2/c1-10-7-8-18(14(10)9-19)15(20)12-5-6-13(17)11(2)16(12,3)4/h10-14,19H,5-9,17H2,1-4H3
InChIKeyABVANURKYPPARP-UHFFFAOYSA-N
MW282.43 g/mol
LogP1.62
Rot. Bonds2

About (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone

(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (PubChem CID 102780666) has the molecular formula C16H30N2O2 and a molecular weight of 282.43 g/mol. Its IUPAC name is (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
PubChem CID102780666
Molecular FormulaC16H30N2O2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
SMILESCC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C1CO
InChIInChI=1S/C16H30N2O2/c1-10-7-8-18(14(10)9-19)15(20)12-5-6-13(17)11(2)16(12,3)4/h10-14,19H,5-9,17H2,1-4H3
InChIKeyABVANURKYPPARP-UHFFFAOYSA-N
XLogP1.62
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone with MolForge

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Related Compounds

(4-amino-2,2,3-trimethylcyclohexyl)-(2,4-dimethylpiperidin-1-yl)methanone
CID 102628765
(2-aminocyclopentyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780572
cyclopropyl-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102738013
(4-amino-2,2,3-trimethylcyclohexyl)-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)methanone
CID 102628858
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-(4-methylcyclohexyl)methanone
CID 102737904
(4-aminocyclopent-2-en-1-yl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone
CID 102780576
(4-amino-2,2,3-trimethylcyclohexyl)-(2-azabicyclo[2.2.1]heptan-2-yl)methanone
CID 102628701
1-(4-amino-2,2,3-trimethylcyclohexanecarbonyl)-N-methylpyrrolidine-2-carboxamide
CID 102628551
4-amino-2,2,3-trimethyl-N-(2-methylcyclopropyl)cyclohexane-1-carboxamide
CID 102628769
[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
CID 102780530
(4-amino-2,2,3-trimethylcyclohexyl)-(1,4-oxazepan-4-yl)methanone
CID 102628805
(4-amino-2,2,3-trimethylcyclohexyl)-(2,5-dimethylmorpholin-4-yl)methanone
CID 102628392

Frequently Asked Questions

What is the IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The IUPAC name of (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone (CID 102780666) is (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is CC1CCN(C(=O)C2CCC(N)C(C)C2(C)C)C1CO.
What is the InChIKey of (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
The InChIKey is ABVANURKYPPARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O2/c1-10-7-8-18(14(10)9-19)15(20)12-5-6-13(17)11(2)16(12,3)4/h10-14,19H,5-9,17H2,1-4H3.
What are the key properties of (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone?
(4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone has a molecular weight of 282.43 g/mol, XLogP of 1.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-2,2,3-trimethylcyclohexyl)-[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 102780666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).