2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

C14H28N2O — CID 60642296

IUPAC2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)CCC(C)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)7-8-12(3)15-13(4)14(17)16-9-5-6-10-16/h11-13,15H,5-10H2,1-4H3
InChIKeyUWVAFOAUSGLXPO-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.41
Rot. Bonds6

About 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one

2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (PubChem CID 60642296) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.

Molecular Properties

Compound Name2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
PubChem CID60642296
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
SMILESCC(C)CCC(C)NC(C)C(=O)N1CCCC1
InChIInChI=1S/C14H28N2O/c1-11(2)7-8-12(3)15-13(4)14(17)16-9-5-6-10-16/h11-13,15H,5-10H2,1-4H3
InChIKeyUWVAFOAUSGLXPO-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(pentan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43083652
(2S)-2-(pentan-2-ylamino)-1-piperidin-1-ylpropan-1-one
CID 103902059
2-(1-piperidin-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54938177
2-(pentan-3-ylamino)-1-piperidin-1-ylpropan-1-one
CID 43083625
2-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-1-pyrrolidin-1-ylpropan-1-one
CID 54959087
1-(azepan-1-yl)-2-[(1-hydroxy-3-methylbutan-2-yl)amino]propan-1-one
CID 79248979
1-(azepan-1-yl)-2-(2-methylpropoxyamino)propan-1-one
CID 82723078
2-(1-imidazol-1-ylpropan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 54958720
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N-methylpropanamide
CID 54950929
2-(4-methylpentan-2-ylamino)-1-morpholin-4-ylpropan-1-one
CID 43372158
2-[[1-(azepan-1-yl)-1-oxopropan-2-yl]amino]-N,N-dimethylpropanamide
CID 61464466
2-(1-cyclopropylethylamino)-1-piperidin-1-ylpropan-1-one
CID 43401265

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The IUPAC name of 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one (CID 60642296) is 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one.
What is the SMILES notation for 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The canonical SMILES for 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is CC(C)CCC(C)NC(C)C(=O)N1CCCC1.
What is the InChIKey of 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
The InChIKey is UWVAFOAUSGLXPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)7-8-12(3)15-13(4)14(17)16-9-5-6-10-16/h11-13,15H,5-10H2,1-4H3.
What are the key properties of 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one?
2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one has a molecular weight of 240.39 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylhexan-2-ylamino)-1-pyrrolidin-1-ylpropan-1-one is sourced from PubChem (CID 60642296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).