2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide

C16H31N3O — CID 60975769

IUPAC2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H31N3O/c1-5-16(3,4)18-15(20)12(2)17-10-13-8-9-19(11-13)14-6-7-14/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyKJLHGFHJQNORDU-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.75
Rot. Bonds7

About 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide

2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide (PubChem CID 60975769) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide.

Molecular Properties

Compound Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
PubChem CID60975769
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide
SMILESCCC(C)(C)NC(=O)C(C)NCC1CCN(C2CC2)C1
InChIInChI=1S/C16H31N3O/c1-5-16(3,4)18-15(20)12(2)17-10-13-8-9-19(11-13)14-6-7-14/h12-14,17H,5-11H2,1-4H3,(H,18,20)
InChIKeyKJLHGFHJQNORDU-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S)-3-methyl-1-oxo-1-pyrrolidin-1-ylbutan-2-yl]acetamide
CID 15130907
N-[1-(cyclopropanecarbonyl)pyrrolidin-3-yl]-2-methylpropanamide
CID 53016339
(2S)-N-tert-butyl-1-[(1R)-1-cyclopropyl-2-(methylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 75529688
2-[cyclopropyl(3-methylbutyl)amino]-N-propan-2-ylacetamide
CID 51077611
2-methyl-N-[(2S)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]propanamide
CID 71684096
N-{2-[(3R*,4S*)-3-amino-4-cyclopropyl-1-pyrrolidinyl]-1,1-dimethyl-2-oxoethyl}acetamide
CID 72868665
2-amino-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3,3,3-trifluoro-2-methylpropanamide
CID 79797572
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2,2,2-trifluoroethyl)propanamide
CID 116153359
2-amino-3-methyl-N-(2-pyrrolidin-1-ylethyl)butanamide
CID 18450290
3-(N-acetyl-N-methylamino)-4-methylpyrrolidine
CID 20134125
N-[1-(3-methylbutyl)pyrrolidin-3-yl]acetamide
CID 21355518
2-methyl-N-(1-methylpyrrolidin-3-yl)propanamide
CID 23544344

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The IUPAC name of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide (CID 60975769) is 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide.
What is the SMILES notation for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The canonical SMILES for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide is CCC(C)(C)NC(=O)C(C)NCC1CCN(C2CC2)C1.
What is the InChIKey of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
The InChIKey is KJLHGFHJQNORDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-16(3,4)18-15(20)12(2)17-10-13-8-9-19(11-13)14-6-7-14/h12-14,17H,5-11H2,1-4H3,(H,18,20).
What are the key properties of 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide?
2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide has a molecular weight of 281.44 g/mol, XLogP of 1.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylpyrrolidin-3-yl)methylamino]-N-(2-methylbutan-2-yl)propanamide is sourced from PubChem (CID 60975769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).