3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one

C12H24N2O — CID 170295509

IUPAC3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)NC(C)CC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-4-10(2)13-11(3)9-12(15)14-7-5-6-8-14/h10-11,13H,4-9H2,1-3H3
InChIKeyWANALSINTZATDS-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.78
Rot. Bonds5

About 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one

3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one (PubChem CID 170295509) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one.

Molecular Properties

Compound Name3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
PubChem CID170295509
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one
SMILESCCC(C)NC(C)CC(=O)N1CCCC1
InChIInChI=1S/C12H24N2O/c1-4-10(2)13-11(3)9-12(15)14-7-5-6-8-14/h10-11,13H,4-9H2,1-3H3
InChIKeyWANALSINTZATDS-UHFFFAOYSA-N
XLogP1.78
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 ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-4-oxo-4-pyrrolidin-1-ylbutanamide
CID 66431515
(3R)-3-methyl-1-piperidin-1-ylpentan-1-one
CID 174011715
1-(azocan-1-yl)-2-(butan-2-ylamino)ethanone
CID 60671529
3-ethyl-5-methyl-1-pyrrolidin-1-ylhexan-1-one
CID 178004280
3-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]butanamide
CID 115676331
(3S)-1-(azepan-1-yl)-3-[[(2S)-1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]amino]butan-1-one
CID 97104008
(3R)-3-amino-1-piperidin-1-ylbutan-1-one
CID 59102647
N-butan-2-ylpyrrolidine-1-carboxamide
CID 17217776
3-(aminomethyl)-1-pyrrolidin-1-ylpentan-1-one
CID 81070854
2-(4-methylpentan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 43372218
4-amino-3-methyl-1-pyrrolidin-1-ylbutan-1-one
CID 81070855
5-(azocan-1-yl)-3-methyl-5-oxopentanoic acid
CID 62964849

Frequently Asked Questions

What is the IUPAC name of 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
The IUPAC name of 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one (CID 170295509) is 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one.
What is the SMILES notation for 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
The canonical SMILES for 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one is CCC(C)NC(C)CC(=O)N1CCCC1.
What is the InChIKey of 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
The InChIKey is WANALSINTZATDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-10(2)13-11(3)9-12(15)14-7-5-6-8-14/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one?
3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one has a molecular weight of 212.34 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(butan-2-ylamino)-1-pyrrolidin-1-ylbutan-1-one is sourced from PubChem (CID 170295509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).