2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

C14H29N3O — CID 54959087

IUPAC2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC(CN(C)C)C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(10-16(4)5)15-12(3)14(18)17-8-6-7-9-17/h11-13,15H,6-10H2,1-5H3
InChIKeyFGEFQWPHFHOCST-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.17
Rot. Bonds6

About 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one

2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 54959087) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
PubChem CID54959087
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(NC(CN(C)C)C(C)C)C(=O)N1CCCC1
InChIInChI=1S/C14H29N3O/c1-11(2)13(10-16(4)5)15-12(3)14(18)17-8-6-7-9-17/h11-13,15H,6-10H2,1-5H3
InChIKeyFGEFQWPHFHOCST-UHFFFAOYSA-N
XLogP1.17
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 60642296
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
1-(2-methylpentan-3-yl)-3-(1-oxo-1-piperidin-1-ylpropan-2-yl)urea
CID 47481518
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
methyl 2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-3-methylbutanoate
CID 43386372
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one (CID 54959087) is 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is CC(NC(CN(C)C)C(C)C)C(=O)N1CCCC1.
What is the InChIKey of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is FGEFQWPHFHOCST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)13(10-16(4)5)15-12(3)14(18)17-8-6-7-9-17/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one?
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 255.41 g/mol, XLogP of 1.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 54959087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).