5-[(3-methylcyclobutyl)-propylamino]pentan-2-one

C13H25NO — CID 123895822

IUPAC5-[(3-methylcyclobutyl)-propylamino]pentan-2-one
SMILESCCCN(CCCC(C)=O)C1CC(C)C1
InChIInChI=1S/C13H25NO/c1-4-7-14(8-5-6-12(3)15)13-9-11(2)10-13/h11,13H,4-10H2,1-3H3
InChIKeySKKWTVXYLKAALN-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.87
Rot. Bonds7

About 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one

5-[(3-methylcyclobutyl)-propylamino]pentan-2-one (PubChem CID 123895822) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one.

Molecular Properties

Compound Name5-[(3-methylcyclobutyl)-propylamino]pentan-2-one
PubChem CID123895822
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name5-[(3-methylcyclobutyl)-propylamino]pentan-2-one
SMILESCCCN(CCCC(C)=O)C1CC(C)C1
InChIInChI=1S/C13H25NO/c1-4-7-14(8-5-6-12(3)15)13-9-11(2)10-13/h11,13H,4-10H2,1-3H3
InChIKeySKKWTVXYLKAALN-UHFFFAOYSA-N
XLogP2.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one?
The IUPAC name of 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one (CID 123895822) is 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one.
What is the SMILES notation for 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one?
The canonical SMILES for 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one is CCCN(CCCC(C)=O)C1CC(C)C1.
What is the InChIKey of 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one?
The InChIKey is SKKWTVXYLKAALN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-4-7-14(8-5-6-12(3)15)13-9-11(2)10-13/h11,13H,4-10H2,1-3H3.
What are the key properties of 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one?
5-[(3-methylcyclobutyl)-propylamino]pentan-2-one has a molecular weight of 211.35 g/mol, XLogP of 2.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-methylcyclobutyl)-propylamino]pentan-2-one is sourced from PubChem (CID 123895822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).