2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one

C15H30N2O2 — CID 57072126

IUPAC2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one
SMILESCC(C)C(=O)C(C)NCCCNC(C)C(=O)C(C)C
InChIInChI=1S/C15H30N2O2/c1-10(2)14(18)12(5)16-8-7-9-17-13(6)15(19)11(3)4/h10-13,16-17H,7-9H2,1-6H3
InChIKeyLKLGZFAYPLVWFI-UHFFFAOYSA-N
MW270.42 g/mol
LogP1.78
Rot. Bonds10

About 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one

2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one (PubChem CID 57072126) has the molecular formula C15H30N2O2 and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one.

Molecular Properties

Compound Name2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one
PubChem CID57072126
Molecular FormulaC15H30N2O2
Molecular Weight270.42 g/mol
Exact Mass270.23
IUPAC Name2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one
SMILESCC(C)C(=O)C(C)NCCCNC(C)C(=O)C(C)C
InChIInChI=1S/C15H30N2O2/c1-10(2)14(18)12(5)16-8-7-9-17-13(6)15(19)11(3)4/h10-13,16-17H,7-9H2,1-6H3
InChIKeyLKLGZFAYPLVWFI-UHFFFAOYSA-N
XLogP1.78
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-7-(diaminomethylamino)-2-methylheptan-3-one
CID 148543168
2-(3-hydroxypropylamino)propanamide
CID 43392787
2-(pentylamino)propanoic acid
CID 43467235
(4S)-4,7-diamino-2-(butylamino)heptan-3-one
CID 176659037
2-(hexadecylamino)propanoic acid
CID 15919803
(2S)-2-(octadecylamino)propanoic acid
CID 54367434
2-(3-fluoropropylamino)propanamide
CID 81105726
(2S)-2-(4-aminobutylamino)propanoic acid
CID 45082347
ethyl 2-(heptylamino)propanoate
CID 61498650
2-(4-aminopentylamino)propanoic acid
CID 142180855
CID 162321120
CID 162321120
ethyl 2-(hexylamino)propanoate
CID 13388952

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one?
The IUPAC name of 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one (CID 57072126) is 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one.
What is the SMILES notation for 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one?
The canonical SMILES for 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one is CC(C)C(=O)C(C)NCCCNC(C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one?
The InChIKey is LKLGZFAYPLVWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O2/c1-10(2)14(18)12(5)16-8-7-9-17-13(6)15(19)11(3)4/h10-13,16-17H,7-9H2,1-6H3.
What are the key properties of 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one?
2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one has a molecular weight of 270.42 g/mol, XLogP of 1.78, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-[(4-methyl-3-oxopentan-2-yl)amino]propylamino]pentan-3-one is sourced from PubChem (CID 57072126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).