2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone

C13H24N2O — CID 63993753

IUPAC2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESCCC(CC1CC1)NCC(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-2-12(9-11-5-6-11)14-10-13(16)15-7-3-4-8-15/h11-12,14H,2-10H2,1H3
InChIKeyLPZAKXLMTWTWKK-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.78
Rot. Bonds6

About 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone

2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 63993753) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone
PubChem CID63993753
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone
SMILESCCC(CC1CC1)NCC(=O)N1CCCC1
InChIInChI=1S/C13H24N2O/c1-2-12(9-11-5-6-11)14-10-13(16)15-7-3-4-8-15/h11-12,14H,2-10H2,1H3
InChIKeyLPZAKXLMTWTWKK-UHFFFAOYSA-N
XLogP1.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1-hydroxybutan-2-ylamino)-1-piperidin-1-ylethanone
CID 43392797
N-carbamoyl-2-(1-cyclopropylbutan-2-ylamino)acetamide
CID 63995737
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
1-(azepan-1-yl)-2-(1,3-dihydroxypropan-2-ylamino)ethanone
CID 65314653
N-(1-cyclopropylbutan-2-yl)-3-methylpiperidine-1-carboxamide
CID 115626438
2-[(1-cyclopropylbutan-2-ylamino)methyl]-2-ethylbutan-1-ol
CID 81419163
tert-butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63996725
(3R)-1-(cyclopropanecarbonyl)-N-[(2R)-1-cyclopropylbutan-2-yl]piperidine-3-carboxamide
CID 97316640
1-(azepan-1-yl)-2-(3-methylpentan-2-ylamino)ethanone
CID 54950649
1-(azepan-1-yl)-2-[(4-ethylcyclohexyl)amino]ethanone
CID 60977352
ethyl 2-[(1-cyclopropylbutan-2-ylamino)methyl]prop-2-enoate
CID 103251898
butyl 2-(1-cyclopropylbutan-2-ylamino)acetate
CID 63995531

Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone (CID 63993753) is 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone is CCC(CC1CC1)NCC(=O)N1CCCC1.
What is the InChIKey of 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is LPZAKXLMTWTWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-12(9-11-5-6-11)14-10-13(16)15-7-3-4-8-15/h11-12,14H,2-10H2,1H3.
What are the key properties of 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone?
2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 224.35 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylbutan-2-ylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 63993753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).