3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol

C12H27N3O — CID 81469027

IUPAC3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H27N3O/c1-5-13-11(9-16)7-15-6-10(2)12(8-15)14(3)4/h10-13,16H,5-9H2,1-4H3
InChIKeyLFOUKJVHAVHIPJ-UHFFFAOYSA-N
MW229.37 g/mol
LogP-0.16
Rot. Bonds6

About 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol

3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol (PubChem CID 81469027) has the molecular formula C12H27N3O and a molecular weight of 229.37 g/mol. Its IUPAC name is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol
PubChem CID81469027
Molecular FormulaC12H27N3O
Molecular Weight229.37 g/mol
Exact Mass229.22
IUPAC Name3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)CN1CC(C)C(N(C)C)C1
InChIInChI=1S/C12H27N3O/c1-5-13-11(9-16)7-15-6-10(2)12(8-15)14(3)4/h10-13,16H,5-9H2,1-4H3
InChIKeyLFOUKJVHAVHIPJ-UHFFFAOYSA-N
XLogP-0.16
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.37
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol?
The IUPAC name of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol (CID 81469027) is 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol?
The canonical SMILES for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol is CCNC(CO)CN1CC(C)C(N(C)C)C1.
What is the InChIKey of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol?
The InChIKey is LFOUKJVHAVHIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3O/c1-5-13-11(9-16)7-15-6-10(2)12(8-15)14(3)4/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol?
3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol has a molecular weight of 229.37 g/mol, XLogP of -0.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 81469027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).