1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone

C12H24N2O — CID 115893969

IUPAC1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESCCC(NC1CCN(C(C)=O)C1)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-12(9(2)3)13-11-6-7-14(8-11)10(4)15/h9,11-13H,5-8H2,1-4H3
InChIKeyOIZUFUDBECDRDE-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds4

About 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone

1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone (PubChem CID 115893969) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
PubChem CID115893969
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone
SMILESCCC(NC1CCN(C(C)=O)C1)C(C)C
InChIInChI=1S/C12H24N2O/c1-5-12(9(2)3)13-11-6-7-14(8-11)10(4)15/h9,11-13H,5-8H2,1-4H3
InChIKeyOIZUFUDBECDRDE-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]piperidin-1-yl]ethanone
CID 79254180
1-[3-(heptan-2-ylamino)pyrrolidin-1-yl]ethanone
CID 115893971
1-[(3S)-3-(2-methylpropylamino)pyrrolidin-1-yl]ethanone
CID 42553313
ethane;1-[3-(ethylamino)pyrrolidin-1-yl]ethanone
CID 143082403
1-[3-(hept-6-en-3-ylamino)pyrrolidin-1-yl]ethanone
CID 115893962
(3S)-3-(butan-2-ylamino)pyrrolidine-1-carboxylic acid
CID 68918962
1-[(3R)-3-(methylamino)pyrrolidin-1-yl]ethanone;hydrochloride
CID 172646265
1-[(3R)-3-(propan-2-ylamino)piperidin-1-yl]ethanone
CID 66569291
1-(3-methylbut-2-enyl)-N-(2-methylpentan-3-yl)piperidin-4-amine
CID 54954604
1-[4-(3-methylbutan-2-ylamino)piperidin-1-yl]ethanone
CID 43223288
N-(1-acetylpyrrolidin-3-yl)acetamide
CID 21285269
1-[4-(1-hydroxybutan-2-ylamino)piperidin-1-yl]ethanone
CID 43222767

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone (CID 115893969) is 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone is CCC(NC1CCN(C(C)=O)C1)C(C)C.
What is the InChIKey of 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone?
The InChIKey is OIZUFUDBECDRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-5-12(9(2)3)13-11-6-7-14(8-11)10(4)15/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone?
1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methylpentan-3-ylamino)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 115893969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).