4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one

C10H22N2O — CID 21305184

IUPAC4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one
SMILESCC(C)NCCC(N)C(=O)C(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)10(13)9(11)5-6-12-8(3)4/h7-9,12H,5-6,11H2,1-4H3
InChIKeyLIJBZBSATOSNOY-UHFFFAOYSA-N
MW186.30 g/mol
LogP0.93
Rot. Bonds6

About 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one

4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one (PubChem CID 21305184) has the molecular formula C10H22N2O and a molecular weight of 186.30 g/mol. Its IUPAC name is 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one.

Molecular Properties

Compound Name4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one
PubChem CID21305184
Molecular FormulaC10H22N2O
Molecular Weight186.30 g/mol
Exact Mass186.17
IUPAC Name4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one
SMILESCC(C)NCCC(N)C(=O)C(C)C
InChIInChI=1S/C10H22N2O/c1-7(2)10(13)9(11)5-6-12-8(3)4/h7-9,12H,5-6,11H2,1-4H3
InChIKeyLIJBZBSATOSNOY-UHFFFAOYSA-N
XLogP0.93
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.30
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one?
The IUPAC name of 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one (CID 21305184) is 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one.
What is the SMILES notation for 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one?
The canonical SMILES for 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one is CC(C)NCCC(N)C(=O)C(C)C.
What is the InChIKey of 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one?
The InChIKey is LIJBZBSATOSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O/c1-7(2)10(13)9(11)5-6-12-8(3)4/h7-9,12H,5-6,11H2,1-4H3.
What are the key properties of 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one?
4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one has a molecular weight of 186.30 g/mol, XLogP of 0.93, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methyl-6-(propan-2-ylamino)hexan-3-one is sourced from PubChem (CID 21305184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).