1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

C13H26N2O — CID 62941919

IUPAC1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCNCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C13H26N2O/c1-14-10-13(6-3-2-4-7-13)11-15-8-5-12(16)9-15/h12,14,16H,2-11H2,1H3
InChIKeyDXLJQAAYSQDJEG-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds4

About 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol

1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (PubChem CID 62941919) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
PubChem CID62941919
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol
SMILESCNCC1(CN2CCC(O)C2)CCCCC1
InChIInChI=1S/C13H26N2O/c1-14-10-13(6-3-2-4-7-13)11-15-8-5-12(16)9-15/h12,14,16H,2-11H2,1H3
InChIKeyDXLJQAAYSQDJEG-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The IUPAC name of 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol (CID 62941919) is 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is CNCC1(CN2CCC(O)C2)CCCCC1.
What is the InChIKey of 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
The InChIKey is DXLJQAAYSQDJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14-10-13(6-3-2-4-7-13)11-15-8-5-12(16)9-15/h12,14,16H,2-11H2,1H3.
What are the key properties of 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol?
1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(methylaminomethyl)cyclohexyl]methyl]pyrrolidin-3-ol is sourced from PubChem (CID 62941919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).