(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 62781610

IUPAC(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCCC2CO)CC1N
InChIInChI=1S/C13H24N2O2/c1-9-4-5-10(7-12(9)14)13(17)15-6-2-3-11(15)8-16/h9-12,16H,2-8,14H2,1H3
InChIKeyZEFYCYZWQKYFFE-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.73
Rot. Bonds2

About (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone

(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 62781610) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID62781610
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESCC1CCC(C(=O)N2CCCC2CO)CC1N
InChIInChI=1S/C13H24N2O2/c1-9-4-5-10(7-12(9)14)13(17)15-6-2-3-11(15)8-16/h9-12,16H,2-8,14H2,1H3
InChIKeyZEFYCYZWQKYFFE-UHFFFAOYSA-N
XLogP0.73
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 ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl-(3-amino-4-methylcyclohexyl)methanone
CID 62781711
cyclopentyl-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 79030199
[2-(hydroxymethyl)piperidin-1-yl]-(2-methylpiperidin-4-yl)methanone
CID 106738823
4-[2-(hydroxymethyl)azepane-1-carbonyl]cyclohexane-1-carboxylic acid
CID 116635794
(4-tert-butylcyclohexyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261951
[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]-(1-methylsulfonylpiperidin-4-yl)methanone
CID 66261063
(3-amino-4-methylcyclohexyl)-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 79937039
cyclopentyl-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116636172
1-(3-amino-4-methylcyclohexanecarbonyl)-3,4,4a,6,7,7a-hexahydro-2H-pyrrolo[3,4-b]pyridin-5-one
CID 103198348
(2-aminocycloheptyl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 107218042
[4-(aminomethyl)cyclohexyl]-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 104963820
(3-amino-4-methylcyclohexyl)-(4-methylpiperidin-1-yl)methanone
CID 62775816

Frequently Asked Questions

What is the IUPAC name of (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 62781610) is (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is CC1CCC(C(=O)N2CCCC2CO)CC1N.
What is the InChIKey of (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is ZEFYCYZWQKYFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9-4-5-10(7-12(9)14)13(17)15-6-2-3-11(15)8-16/h9-12,16H,2-8,14H2,1H3.
What are the key properties of (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone?
(3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4-methylcyclohexyl)-[2-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 62781610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).