(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride

C11H26Cl2N2O — CID 14180887

IUPAC(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride
SMILESCC(C)CNCC(=O)[C@@H](N)CC(C)C.Cl.Cl
InChIInChI=1S/C11H24N2O.2ClH/c1-8(2)5-10(12)11(14)7-13-6-9(3)4;;/h8-10,13H,5-7,12H2,1-4H3;2*1H/t10-;;/m0../s1
InChIKeyCMTACSSXNLVFLB-XRIOVQLTSA-N
MW273.25 g/mol
LogP2.02
Rot. Bonds7

About (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride

(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride (PubChem CID 14180887) has the molecular formula C11H26Cl2N2O and a molecular weight of 273.25 g/mol. Its IUPAC name is (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride.

Molecular Properties

Compound Name(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride
PubChem CID14180887
Molecular FormulaC11H26Cl2N2O
Molecular Weight273.25 g/mol
Exact Mass272.14
IUPAC Name(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride
SMILESCC(C)CNCC(=O)[C@@H](N)CC(C)C.Cl.Cl
InChIInChI=1S/C11H24N2O.2ClH/c1-8(2)5-10(12)11(14)7-13-6-9(3)4;;/h8-10,13H,5-7,12H2,1-4H3;2*1H/t10-;;/m0../s1
InChIKeyCMTACSSXNLVFLB-XRIOVQLTSA-N
XLogP2.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.25
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-5-methyl-3-(methylamino)hexan-2-one
CID 59960251
2-Hexanone, 5-methyl-3-(methylamino)-
CID 22981509
1-Acetylspermine trihydrochloride
CID 129709823
3-Amino-5-methyl-1-(2-methylpropylamino)hexan-2-one
CID 14180886
(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one
CID 14180888
2,5-Dimethyl-4-(propan-2-ylamino)hexan-3-one
CID 18739781
2,6-Dimethyl-4-(propan-2-ylamino)heptan-3-one
CID 18739782
8-(Dimethylamino)-2-methyl-4-(propan-2-ylamino)octan-3-one
CID 20700963
4-Amino-2-methyl-6-(propan-2-ylamino)hexan-3-one
CID 21305184
5-(Aminomethyl)-2-methyl-6-(propan-2-ylamino)hexan-3-one
CID 21305190
2,5-Dimethyl-4-(methylamino)hexan-3-one
CID 21338974
4-Methyl-3-(methylamino)hexan-2-one
CID 22981508

Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride?
The IUPAC name of (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride (CID 14180887) is (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride.
What is the SMILES notation for (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride?
The canonical SMILES for (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride is CC(C)CNCC(=O)[C@@H](N)CC(C)C.Cl.Cl.
What is the InChIKey of (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride?
The InChIKey is CMTACSSXNLVFLB-XRIOVQLTSA-N. The full InChI is InChI=1S/C11H24N2O.2ClH/c1-8(2)5-10(12)11(14)7-13-6-9(3)4;;/h8-10,13H,5-7,12H2,1-4H3;2*1H/t10-;;/m0../s1.
What are the key properties of (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride?
(3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride has a molecular weight of 273.25 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-5-methyl-1-(2-methylpropylamino)hexan-2-one;dihydrochloride is sourced from PubChem (CID 14180887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).