2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

C14H26N2O2 — CID 113440211

IUPAC2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESNCC1(CC(=O)N2CCC(CO)C2)CCCCC1
InChIInChI=1S/C14H26N2O2/c15-11-14(5-2-1-3-6-14)8-13(18)16-7-4-12(9-16)10-17/h12,17H,1-11,15H2
InChIKeyOIESSWVEGGLNJQ-UHFFFAOYSA-N
MW254.37 g/mol
LogP1.13
Rot. Bonds4

About 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone

2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (PubChem CID 113440211) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
PubChem CID113440211
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone
SMILESNCC1(CC(=O)N2CCC(CO)C2)CCCCC1
InChIInChI=1S/C14H26N2O2/c15-11-14(5-2-1-3-6-14)8-13(18)16-7-4-12(9-16)10-17/h12,17H,1-11,15H2
InChIKeyOIESSWVEGGLNJQ-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone (CID 113440211) is 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is NCC1(CC(=O)N2CCC(CO)C2)CCCCC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
The InChIKey is OIESSWVEGGLNJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c15-11-14(5-2-1-3-6-14)8-13(18)16-7-4-12(9-16)10-17/h12,17H,1-11,15H2.
What are the key properties of 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone?
2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone has a molecular weight of 254.37 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclohexyl]-1-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 113440211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).