3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol

C11H25N3O — CID 64787834

IUPAC3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C11H25N3O/c1-12-10(9-15)7-14-6-4-5-11(14)8-13(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyYPWCFDADYCBBAC-UHFFFAOYSA-N
MW215.34 g/mol
LogP-0.41
Rot. Bonds6

About 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol

3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol (PubChem CID 64787834) has the molecular formula C11H25N3O and a molecular weight of 215.34 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol
PubChem CID64787834
Molecular FormulaC11H25N3O
Molecular Weight215.34 g/mol
Exact Mass215.20
IUPAC Name3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol
SMILESCNC(CO)CN1CCCC1CN(C)C
InChIInChI=1S/C11H25N3O/c1-12-10(9-15)7-14-6-4-5-11(14)8-13(2)3/h10-12,15H,4-9H2,1-3H3
InChIKeyYPWCFDADYCBBAC-UHFFFAOYSA-N
XLogP-0.41
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol?
The IUPAC name of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol (CID 64787834) is 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol is CNC(CO)CN1CCCC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol?
The InChIKey is YPWCFDADYCBBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O/c1-12-10(9-15)7-14-6-4-5-11(14)8-13(2)3/h10-12,15H,4-9H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol?
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol has a molecular weight of 215.34 g/mol, XLogP of -0.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(methylamino)propan-1-ol is sourced from PubChem (CID 64787834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).