6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol

C12H28N2O — CID 63701347

IUPAC6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
SMILESCC(O)CCCCN(C)CCCN(C)C
InChIInChI=1S/C12H28N2O/c1-12(15)8-5-6-10-14(4)11-7-9-13(2)3/h12,15H,5-11H2,1-4H3
InChIKeyDNDRWBXGGNXKTK-UHFFFAOYSA-N
MW216.37 g/mol
LogP1.42
Rot. Bonds9

About 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol

6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol (PubChem CID 63701347) has the molecular formula C12H28N2O and a molecular weight of 216.37 g/mol. Its IUPAC name is 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol.

Molecular Properties

Compound Name6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
PubChem CID63701347
Molecular FormulaC12H28N2O
Molecular Weight216.37 g/mol
Exact Mass216.22
IUPAC Name6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol
SMILESCC(O)CCCCN(C)CCCN(C)C
InChIInChI=1S/C12H28N2O/c1-12(15)8-5-6-10-14(4)11-7-9-13(2)3/h12,15H,5-11H2,1-4H3
InChIKeyDNDRWBXGGNXKTK-UHFFFAOYSA-N
XLogP1.42
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.37
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-N-[3-(dimethylamino)propyl]-1-N-methylhexane-1,5-diamine
CID 63693646
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylbutane-1,4-diamine;trihydrochloride
CID 131875706
N'-[3-(dimethylamino)propyl]-N,N,N'-trimethylpropane-1,3-diamine;ethane
CID 171793143
4-[9-bromononyl(methyl)amino]butan-2-ol
CID 105343869
1-[3-(dimethylamino)propyl-methylamino]-4,4-dimethylpentan-3-ol
CID 63700199
N-[3-[3-(dimethylamino)propyl-methylamino]propyl]-N-methylhydroxylamine
CID 176937078
1-[3-(dimethylamino)propyl-[(2R)-2-hydroxypropyl]amino]propan-2-ol
CID 87581413
13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride
CID 173023380
1-(dimethylamino)octane-2,7-diol
CID 123214691
N'-[3-(dimethylamino)propyl]-N',2-dimethylpentane-1,5-diamine
CID 82017008
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
N,N'-bis[2-(dimethylamino)ethyl]-N,N'-dimethylpropane-1,3-diamine
CID 547219

Frequently Asked Questions

What is the IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol?
The IUPAC name of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol (CID 63701347) is 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol.
What is the SMILES notation for 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol?
The canonical SMILES for 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol is CC(O)CCCCN(C)CCCN(C)C.
What is the InChIKey of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol?
The InChIKey is DNDRWBXGGNXKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O/c1-12(15)8-5-6-10-14(4)11-7-9-13(2)3/h12,15H,5-11H2,1-4H3.
What are the key properties of 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol?
6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol has a molecular weight of 216.37 g/mol, XLogP of 1.42, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(dimethylamino)propyl-methylamino]hexan-2-ol is sourced from PubChem (CID 63701347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).