2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one

C12H26N2O — CID 20607818

IUPAC2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one
SMILESCC(C)NC(C)CNC(C)C(=O)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)12(15)11(6)13-7-10(5)14-9(3)4/h8-11,13-14H,7H2,1-6H3
InChIKeyUQIZKCIGMYDZNL-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.58
Rot. Bonds7

About 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one

2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one (PubChem CID 20607818) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one.

Molecular Properties

Compound Name2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one
PubChem CID20607818
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one
SMILESCC(C)NC(C)CNC(C)C(=O)C(C)C
InChIInChI=1S/C12H26N2O/c1-8(2)12(15)11(6)13-7-10(5)14-9(3)4/h8-11,13-14H,7H2,1-6H3
InChIKeyUQIZKCIGMYDZNL-UHFFFAOYSA-N
XLogP1.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one?
The IUPAC name of 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one (CID 20607818) is 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one.
What is the SMILES notation for 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one?
The canonical SMILES for 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one is CC(C)NC(C)CNC(C)C(=O)C(C)C.
What is the InChIKey of 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one?
The InChIKey is UQIZKCIGMYDZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-8(2)12(15)11(6)13-7-10(5)14-9(3)4/h8-11,13-14H,7H2,1-6H3.
What are the key properties of 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one?
2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one has a molecular weight of 214.35 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(propan-2-ylamino)propylamino]pentan-3-one is sourced from PubChem (CID 20607818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).