(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

C13H24N2O2 — CID 112625202

IUPAC(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCCC2N)C1
InChIInChI=1S/C13H24N2O2/c1-9(16)10-6-7-15(8-10)13(17)11-4-2-3-5-12(11)14/h9-12,16H,2-8,14H2,1H3
InChIKeyNWEBYQQNQYTOQG-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.73
Rot. Bonds2

About (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone

(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (PubChem CID 112625202) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
PubChem CID112625202
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
SMILESCC(O)C1CCN(C(=O)C2CCCCC2N)C1
InChIInChI=1S/C13H24N2O2/c1-9(16)10-6-7-15(8-10)13(17)11-4-2-3-5-12(11)14/h9-12,16H,2-8,14H2,1H3
InChIKeyNWEBYQQNQYTOQG-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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Frequently Asked Questions

What is the IUPAC name of (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone (CID 112625202) is (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is CC(O)C1CCN(C(=O)C2CCCCC2N)C1.
What is the InChIKey of (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NWEBYQQNQYTOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-9(16)10-6-7-15(8-10)13(17)11-4-2-3-5-12(11)14/h9-12,16H,2-8,14H2,1H3.
What are the key properties of (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone?
(2-aminocyclohexyl)-[3-(1-hydroxyethyl)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 (2-aminocyclohexyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112625202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).