(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 112629284

IUPAC(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(C(=O)N2CCC(CO)C2)C1N
InChIInChI=1S/C13H24N2O2/c1-9-3-2-4-11(12(9)14)13(17)15-6-5-10(7-15)8-16/h9-12,16H,2-8,14H2,1H3
InChIKeyPOYRSDIBTJIXLG-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.59
Rot. Bonds2

About (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 112629284) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID112629284
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCCC(C(=O)N2CCC(CO)C2)C1N
InChIInChI=1S/C13H24N2O2/c1-9-3-2-4-11(12(9)14)13(17)15-6-5-10(7-15)8-16/h9-12,16H,2-8,14H2,1H3
InChIKeyPOYRSDIBTJIXLG-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2-aminocyclopentyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112624969
(2-amino-3-methylcyclohexyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63175042
(2-aminocycloheptyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625103
(2-amino-3-methylcyclohexyl)-(4-ethylpiperazin-1-yl)methanone
CID 55116652
[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 112625074
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 113360949
(2-amino-3-methylcyclohexyl)-(3-morpholin-4-ylpyrrolidin-1-yl)methanone
CID 63175044
(2-amino-3-methylcyclohexyl)-morpholin-4-ylmethanone
CID 62777723
(2-amino-3-methylcyclohexyl)-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114780403
2-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carboxylic acid
CID 114797273
2-[4-(hydroxymethyl)piperidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 43246110
(2-aminocyclopentyl)-(3-propylpyrrolidin-1-yl)methanone
CID 115739353

Frequently Asked Questions

What is the IUPAC name of (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 112629284) is (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is CC1CCCC(C(=O)N2CCC(CO)C2)C1N.
What is the InChIKey of (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is POYRSDIBTJIXLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-3-2-4-11(12(9)14)13(17)15-6-5-10(7-15)8-16/h9-12,16H,2-8,14H2,1H3.
What are the key properties of (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-3-methylcyclohexyl)-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112629284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).