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

C16H32N4O — CID 81465456

IUPAC2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
SMILESCCCNC(CN1CC(C)C(N(C)C)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H32N4O/c1-5-8-18-16(15(17)21,13-6-7-13)11-20-9-12(2)14(10-20)19(3)4/h12-14,18H,5-11H2,1-4H3,(H2,17,21)
InChIKeySHPQGWQILPMTRS-UHFFFAOYSA-N
MW296.46 g/mol
LogP0.50
Rot. Bonds8

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

2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide (PubChem CID 81465456) has the molecular formula C16H32N4O and a molecular weight of 296.46 g/mol. Its IUPAC name is 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide.

Molecular Properties

Compound Name2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
PubChem CID81465456
Molecular FormulaC16H32N4O
Molecular Weight296.46 g/mol
Exact Mass296.26
IUPAC Name2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide
SMILESCCCNC(CN1CC(C)C(N(C)C)C1)(C(N)=O)C1CC1
InChIInChI=1S/C16H32N4O/c1-5-8-18-16(15(17)21,13-6-7-13)11-20-9-12(2)14(10-20)19(3)4/h12-14,18H,5-11H2,1-4H3,(H2,17,21)
InChIKeySHPQGWQILPMTRS-UHFFFAOYSA-N
XLogP0.50
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.46
LogP ≤ 50.50
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)propanamide?
The IUPAC name of 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide (CID 81465456) is 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide.
What is the SMILES notation for 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide?
The canonical SMILES for 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide is CCCNC(CN1CC(C)C(N(C)C)C1)(C(N)=O)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide?
The InChIKey is SHPQGWQILPMTRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4O/c1-5-8-18-16(15(17)21,13-6-7-13)11-20-9-12(2)14(10-20)19(3)4/h12-14,18H,5-11H2,1-4H3,(H2,17,21).
What are the key properties of 2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide?
2-cyclopropyl-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-2-(propylamino)propanamide has a molecular weight of 296.46 g/mol, XLogP of 0.50, 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)propanamide is sourced from PubChem (CID 81465456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).