3-(methylaminomethyl)pyrrolidin-3-ol

C6H14N2O — CID 14578457

IUPAC3-(methylaminomethyl)pyrrolidin-3-ol
SMILESCNCC1(O)CCNC1
InChIInChI=1S/C6H14N2O/c1-7-4-6(9)2-3-8-5-6/h7-9H,2-5H2,1H3
InChIKeyGSUDCKYXBMHOFJ-UHFFFAOYSA-N
MW130.19 g/mol
LogP-1.07
Rot. Bonds2

About 3-(methylaminomethyl)pyrrolidin-3-ol

3-(methylaminomethyl)pyrrolidin-3-ol (PubChem CID 14578457) has the molecular formula C6H14N2O and a molecular weight of 130.19 g/mol. Its IUPAC name is 3-(methylaminomethyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name3-(methylaminomethyl)pyrrolidin-3-ol
PubChem CID14578457
Molecular FormulaC6H14N2O
Molecular Weight130.19 g/mol
Exact Mass130.11
IUPAC Name3-(methylaminomethyl)pyrrolidin-3-ol
SMILESCNCC1(O)CCNC1
InChIInChI=1S/C6H14N2O/c1-7-4-6(9)2-3-8-5-6/h7-9H,2-5H2,1H3
InChIKeyGSUDCKYXBMHOFJ-UHFFFAOYSA-N
XLogP-1.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)pyrrolidin-3-ol?
The IUPAC name of 3-(methylaminomethyl)pyrrolidin-3-ol (CID 14578457) is 3-(methylaminomethyl)pyrrolidin-3-ol.
What is the SMILES notation for 3-(methylaminomethyl)pyrrolidin-3-ol?
The canonical SMILES for 3-(methylaminomethyl)pyrrolidin-3-ol is CNCC1(O)CCNC1.
What is the InChIKey of 3-(methylaminomethyl)pyrrolidin-3-ol?
The InChIKey is GSUDCKYXBMHOFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14N2O/c1-7-4-6(9)2-3-8-5-6/h7-9H,2-5H2,1H3.
What are the key properties of 3-(methylaminomethyl)pyrrolidin-3-ol?
3-(methylaminomethyl)pyrrolidin-3-ol has a molecular weight of 130.19 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)pyrrolidin-3-ol is sourced from PubChem (CID 14578457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).