1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone

C14H29N3O — CID 23588135

IUPAC1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone
SMILESCNC1CCN(C(=O)CN(CC(C)C)C(C)C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)8-17(12(3)4)10-14(18)16-7-6-13(9-16)15-5/h11-13,15H,6-10H2,1-5H3
InChIKeyFZKJCGVKQNWDQD-UHFFFAOYSA-N
MW255.41 g/mol
LogP1.17
Rot. Bonds6

About 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone

1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone (PubChem CID 23588135) has the molecular formula C14H29N3O and a molecular weight of 255.41 g/mol. Its IUPAC name is 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone.

Molecular Properties

Compound Name1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone
PubChem CID23588135
Molecular FormulaC14H29N3O
Molecular Weight255.41 g/mol
Exact Mass255.23
IUPAC Name1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone
SMILESCNC1CCN(C(=O)CN(CC(C)C)C(C)C)C1
InChIInChI=1S/C14H29N3O/c1-11(2)8-17(12(3)4)10-14(18)16-7-6-13(9-16)15-5/h11-13,15H,6-10H2,1-5H3
InChIKeyFZKJCGVKQNWDQD-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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
The IUPAC name of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone (CID 23588135) is 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone.
What is the SMILES notation for 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
The canonical SMILES for 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone is CNC1CCN(C(=O)CN(CC(C)C)C(C)C)C1.
What is the InChIKey of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
The InChIKey is FZKJCGVKQNWDQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3O/c1-11(2)8-17(12(3)4)10-14(18)16-7-6-13(9-16)15-5/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone?
1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone 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 1-[3-(methylamino)pyrrolidin-1-yl]-2-[2-methylpropyl(propan-2-yl)amino]ethanone is sourced from PubChem (CID 23588135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).