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

C13H24N2O2 — CID 112625074

IUPAC[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNCC1CCCCC1C(=O)N1CCC(CO)C1
InChIInChI=1S/C13H24N2O2/c14-7-11-3-1-2-4-12(11)13(17)15-6-5-10(8-15)9-16/h10-12,16H,1-9,14H2
InChIKeyWBGZUNIOGNOUTO-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.59
Rot. Bonds3

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

[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 112625074) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID112625074
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESNCC1CCCCC1C(=O)N1CCC(CO)C1
InChIInChI=1S/C13H24N2O2/c14-7-11-3-1-2-4-12(11)13(17)15-6-5-10(8-15)9-16/h10-12,16H,1-9,14H2
InChIKeyWBGZUNIOGNOUTO-UHFFFAOYSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 112625074) is [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is NCC1CCCCC1C(=O)N1CCC(CO)C1.
What is the InChIKey of [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is WBGZUNIOGNOUTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c14-7-11-3-1-2-4-12(11)13(17)15-6-5-10(8-15)9-16/h10-12,16H,1-9,14H2.
What are the key properties of [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 240.35 g/mol, XLogP of 0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)cyclohexyl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 112625074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).