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

C16H33N3O — CID 81468853

IUPAC2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN1CC(C)C(N(C)C)C1)C1CC1
InChIInChI=1S/C16H33N3O/c1-5-8-17-16(12-20,14-6-7-14)11-19-9-13(2)15(10-19)18(3)4/h13-15,17,20H,5-12H2,1-4H3
InChIKeyJQEAPGKEUJBQIX-UHFFFAOYSA-N
MW283.46 g/mol
LogP1.01
Rot. Bonds8

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

2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol (PubChem CID 81468853) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol
PubChem CID81468853
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol
SMILESCCCNC(CO)(CN1CC(C)C(N(C)C)C1)C1CC1
InChIInChI=1S/C16H33N3O/c1-5-8-17-16(12-20,14-6-7-14)11-19-9-13(2)15(10-19)18(3)4/h13-15,17,20H,5-12H2,1-4H3
InChIKeyJQEAPGKEUJBQIX-UHFFFAOYSA-N
XLogP1.01
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol (CID 81468853) is 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol is CCCNC(CO)(CN1CC(C)C(N(C)C)C1)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol?
The InChIKey is JQEAPGKEUJBQIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-5-8-17-16(12-20,14-6-7-14)11-19-9-13(2)15(10-19)18(3)4/h13-15,17,20H,5-12H2,1-4H3.
What are the key properties of 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol?
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol has a molecular weight of 283.46 g/mol, XLogP of 1.01, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propan-1-ol is sourced from PubChem (CID 81468853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).