1-(dimethylamino)-3-methylhexan-2-ol

C9H21NO — CID 107892980

IUPAC1-(dimethylamino)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CN(C)C
InChIInChI=1S/C9H21NO/c1-5-6-8(2)9(11)7-10(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyMAHGYGZKQWFLDW-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.35
Rot. Bonds5

About 1-(dimethylamino)-3-methylhexan-2-ol

1-(dimethylamino)-3-methylhexan-2-ol (PubChem CID 107892980) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is 1-(dimethylamino)-3-methylhexan-2-ol.

Molecular Properties

Compound Name1-(dimethylamino)-3-methylhexan-2-ol
PubChem CID107892980
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC Name1-(dimethylamino)-3-methylhexan-2-ol
SMILESCCCC(C)C(O)CN(C)C
InChIInChI=1S/C9H21NO/c1-5-6-8(2)9(11)7-10(3)4/h8-9,11H,5-7H2,1-4H3
InChIKeyMAHGYGZKQWFLDW-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-methylheptan-3-ol
CID 12799251
(2R)-3-methylhexan-2-ol
CID 88692749
N,N,7-trimethyl-2-pentan-2-yloctan-1-amine
CID 170849400
4-methyltetradecan-5-ol
CID 65149403
ethane;5-methyloct-1-en-4-ol
CID 142059047
(2S)-1-[methyl(pentan-2-yl)amino]propan-2-ol
CID 103934964
3-hydroxy-4-methylheptanoate
CID 19853472
2-methyl-1-sulfanylpentan-1-ol
CID 154061587
N,N,5-trimethyl-2-propylhexan-1-amine
CID 123395746
2-[(dimethylamino)methyl]pentan-1-ol
CID 117241783
3-methyl-1-(2,2,2-trifluoroethoxy)hexan-2-ol
CID 107893094
3-(dimethylamino)-3-ethyl-5-methyloctan-4-ol
CID 107892969

Frequently Asked Questions

What is the IUPAC name of 1-(dimethylamino)-3-methylhexan-2-ol?
The IUPAC name of 1-(dimethylamino)-3-methylhexan-2-ol (CID 107892980) is 1-(dimethylamino)-3-methylhexan-2-ol.
What is the SMILES notation for 1-(dimethylamino)-3-methylhexan-2-ol?
The canonical SMILES for 1-(dimethylamino)-3-methylhexan-2-ol is CCCC(C)C(O)CN(C)C.
What is the InChIKey of 1-(dimethylamino)-3-methylhexan-2-ol?
The InChIKey is MAHGYGZKQWFLDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-5-6-8(2)9(11)7-10(3)4/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 1-(dimethylamino)-3-methylhexan-2-ol?
1-(dimethylamino)-3-methylhexan-2-ol has a molecular weight of 159.27 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(dimethylamino)-3-methylhexan-2-ol is sourced from PubChem (CID 107892980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).