2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone

C12H24N2O — CID 43372218

IUPAC2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESCC(C)CC(C)NCC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-10(2)8-11(3)13-9-12(15)14-6-4-5-7-14/h10-11,13H,4-9H2,1-3H3
InChIKeyNIWKCXICXADZOJ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.63
Rot. Bonds5

About 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone

2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 43372218) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
PubChem CID43372218
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESCC(C)CC(C)NCC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-10(2)8-11(3)13-9-12(15)14-6-4-5-7-14/h10-11,13H,4-9H2,1-3H3
InChIKeyNIWKCXICXADZOJ-UHFFFAOYSA-N
XLogP1.63
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
(2S)-2-[[2-(azocan-1-yl)-2-oxoethyl]amino]propanoic acid
CID 83194502
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
tert-butyl 4-[2-(4-methylpentan-2-ylamino)acetyl]piperazine-1-carboxylate
CID 103778322
2-[1-(dimethylamino)propan-2-ylamino]-1-piperidin-1-ylethanone
CID 82938717
2-(3-methylbutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43086362
N,N-dimethyl-2-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanamide
CID 60711283
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
6-[[2-(azepan-1-yl)-2-oxoethyl]amino]-2-methylheptanoic acid
CID 65288885
1-(azepan-1-yl)-2-(3,3-dimethylbutan-2-ylamino)ethanone
CID 115626974

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone (CID 43372218) is 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone is CC(C)CC(C)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is NIWKCXICXADZOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(2)8-11(3)13-9-12(15)14-6-4-5-7-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone?
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 212.34 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 43372218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).