6-(dimethylamino)-3-methylhexan-3-ol

C9H21NO — CID 12542595

IUPAC6-(dimethylamino)-3-methylhexan-3-ol
SMILESCCC(C)(O)CCCN(C)C
InChIInChI=1S/C9H21NO/c1-5-9(2,11)7-6-8-10(3)4/h11H,5-8H2,1-4H3
InChIKeyXLLJXKLDHNDXOK-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.49
Rot. Bonds5

About 6-(dimethylamino)-3-methylhexan-3-ol

6-(dimethylamino)-3-methylhexan-3-ol (PubChem CID 12542595) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 6-(dimethylamino)-3-methylhexan-3-ol.

Molecular Properties

Compound Name6-(dimethylamino)-3-methylhexan-3-ol
PubChem CID12542595
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name6-(dimethylamino)-3-methylhexan-3-ol
SMILESCCC(C)(O)CCCN(C)C
InChIInChI=1S/C9H21NO/c1-5-9(2,11)7-6-8-10(3)4/h11H,5-8H2,1-4H3
InChIKeyXLLJXKLDHNDXOK-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

sodium;hydride;3-methylheptan-3-ol
CID 175497399
4-chloro-N,N,4-trimethylpentan-1-amine
CID 2780460
azane;3-methylhenicosan-3-ol;hydrochloride
CID 173459542
N,N,8,8-tetramethyldecan-1-amine
CID 90127561
6-methoxy-3-methylhexan-3-ol
CID 114851780
hydroxy(oxo)titanium;3-methylheptan-3-ol
CID 87558303
2-[3-(dimethylamino)propyl-ethylamino]propan-2-ol
CID 174855893
3-methyl-1-[methyl(4-methylhexyl)amino]pentan-3-ol
CID 137467653
sodium;hydride;3-methylhexan-3-ol
CID 175384887
4-(dimethylamino)-2-methylbutan-2-ol;zirconium
CID 58881629
1-amino-3-methylpentan-3-ol
CID 54320456
1-chloro-3-methylpentan-3-ol
CID 537896

Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-3-methylhexan-3-ol?
The IUPAC name of 6-(dimethylamino)-3-methylhexan-3-ol (CID 12542595) is 6-(dimethylamino)-3-methylhexan-3-ol.
What is the SMILES notation for 6-(dimethylamino)-3-methylhexan-3-ol?
The canonical SMILES for 6-(dimethylamino)-3-methylhexan-3-ol is CCC(C)(O)CCCN(C)C.
What is the InChIKey of 6-(dimethylamino)-3-methylhexan-3-ol?
The InChIKey is XLLJXKLDHNDXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-9(2,11)7-6-8-10(3)4/h11H,5-8H2,1-4H3.
What are the key properties of 6-(dimethylamino)-3-methylhexan-3-ol?
6-(dimethylamino)-3-methylhexan-3-ol has a molecular weight of 159.27 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-3-methylhexan-3-ol is sourced from PubChem (CID 12542595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).