1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one

C14H29N3O — CID 114134726

IUPAC1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCCC(C)N(C)CCN1CCC(NC(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-6-12(4)16(5)9-10-17-8-7-13(14(17)18)15-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyLUANKOXQNOIQGO-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.32
Rot. Bonds7

About 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one

1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one (PubChem CID 114134726) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
PubChem CID114134726
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one
SMILESCCC(C)N(C)CCN1CCC(NC(C)C)C1=O
InChIInChI=1S/C14H29N3O/c1-6-12(4)16(5)9-10-17-8-7-13(14(17)18)15-11(2)3/h11-13,15H,6-10H2,1-5H3
InChIKeyLUANKOXQNOIQGO-UHFFFAOYSA-N
XLogP1.32
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one (CID 114134726) is 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one is CCC(C)N(C)CCN1CCC(NC(C)C)C1=O.
What is the InChIKey of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
The InChIKey is LUANKOXQNOIQGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-6-12(4)16(5)9-10-17-8-7-13(14(17)18)15-11(2)3/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one?
1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one has a molecular weight of 255.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[butan-2-yl(methyl)amino]ethyl]-3-(propan-2-ylamino)pyrrolidin-2-one is sourced from PubChem (CID 114134726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).