5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one

C12H24N2O — CID 177155893

IUPAC5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)C(CCC1CN(C)C1)NC(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)13-12(10(3)15)6-5-11-7-14(4)8-11/h9,11-13H,5-8H2,1-4H3
InChIKeyMJMCEADCMYSFMZ-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.28
Rot. Bonds6

About 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one

5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one (PubChem CID 177155893) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one.

Molecular Properties

Compound Name5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one
PubChem CID177155893
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one
SMILESCC(=O)C(CCC1CN(C)C1)NC(C)C
InChIInChI=1S/C12H24N2O/c1-9(2)13-12(10(3)15)6-5-11-7-14(4)8-11/h9,11-13H,5-8H2,1-4H3
InChIKeyMJMCEADCMYSFMZ-UHFFFAOYSA-N
XLogP1.28
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-5-oxo-4-(propan-2-ylamino)hexanamide
CID 170374158
3-(propan-2-ylamino)hexane-2,5-dione
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(3S)-3,7-bis(propan-2-ylamino)heptan-2-one
CID 155409413
4-(4-methylpiperidin-1-yl)-2-(propan-2-ylamino)butanamide
CID 63028170
N-[(5S)-6-oxo-5-(propan-2-ylamino)heptyl]acetamide
CID 134583654
1-(1-methylazetidin-3-yl)propan-2-one
CID 83904810
methyl 2-amino-4-(1-methylpiperidin-3-yl)butanoate
CID 116851548
4-methyl-3-[2-(1-methylazetidin-3-yl)ethyl]pent-1-en-2-amine
CID 165399617
4-(2-cyclopropylethoxy)-2-(propan-2-ylamino)butanamide
CID 106204298
4-(1,1-dioxo-1,4-thiazinan-4-yl)-2-(propan-2-ylamino)butanamide
CID 63055271
4-phenyl-3-(propan-2-ylamino)butan-2-one
CID 70861982
methyl 4-(4-methylpiperazin-1-yl)-2-(propan-2-ylamino)butanoate
CID 55144289

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one?
The IUPAC name of 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one (CID 177155893) is 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one.
What is the SMILES notation for 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one?
The canonical SMILES for 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one is CC(=O)C(CCC1CN(C)C1)NC(C)C.
What is the InChIKey of 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one?
The InChIKey is MJMCEADCMYSFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-9(2)13-12(10(3)15)6-5-11-7-14(4)8-11/h9,11-13H,5-8H2,1-4H3.
What are the key properties of 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one?
5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one has a molecular weight of 212.34 g/mol, XLogP of 1.28, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylazetidin-3-yl)-3-(propan-2-ylamino)pentan-2-one is sourced from PubChem (CID 177155893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).