1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride

C11H26ClNO — CID 115607724

IUPAC1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)CC(O)CNCC(C)(C)C.Cl
InChIInChI=1S/C11H25NO.ClH/c1-9(2)6-10(13)7-12-8-11(3,4)5;/h9-10,12-13H,6-8H2,1-5H3;1H
InChIKeyBQUUHZNSISSIJW-UHFFFAOYSA-N
MW223.79 g/mol
LogP2.45
Rot. Bonds5

About 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride

1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride (PubChem CID 115607724) has the molecular formula C11H26ClNO and a molecular weight of 223.79 g/mol. Its IUPAC name is 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride.

Molecular Properties

Compound Name1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride
PubChem CID115607724
Molecular FormulaC11H26ClNO
Molecular Weight223.79 g/mol
Exact Mass223.17
IUPAC Name1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride
SMILESCC(C)CC(O)CNCC(C)(C)C.Cl
InChIInChI=1S/C11H25NO.ClH/c1-9(2)6-10(13)7-12-8-11(3,4)5;/h9-10,12-13H,6-8H2,1-5H3;1H
InChIKeyBQUUHZNSISSIJW-UHFFFAOYSA-N
XLogP2.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.79
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2-dimethylpropylamino)propan-2-ol
CID 21304828
(2S)-1-(tert-butylamino)-4-methylpentan-2-ol
CID 2056246
butan-2-ol;1-(2-hydroxypropylamino)-4-methylpentan-2-ol
CID 158990832
1-(but-2-ynylamino)-4-methylpentan-2-ol
CID 107152460
1-(3-fluoropropylamino)-4-methylpentan-2-ol
CID 107152341
3-[[2-hydroxy-3-(4-methylpentan-2-yloxy)propyl]amino]-2,2-dimethylpropan-1-ol
CID 115359751
4-(2,2-dimethylpropylamino)-3-methylbutan-1-ol
CID 66091312
2-[[(2-hydroxy-4-methylpentyl)amino]methyl]phenol;hydrochloride
CID 115603201
4-methyl-1-(2-methylsulfonylethylamino)pentan-2-ol
CID 107152409
(3S)-3-[2-(2,2-dimethylpropylamino)ethyl]-5-methylhexan-1-ol
CID 134250980
N-(2,2-dimethylpropyl)-N',2-dimethylpropane-1,3-diamine
CID 79201734
(4R,6R)-2,8-dimethylnonane-4,6-diol
CID 15640449

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride?
The IUPAC name of 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride (CID 115607724) is 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride.
What is the SMILES notation for 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride?
The canonical SMILES for 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride is CC(C)CC(O)CNCC(C)(C)C.Cl.
What is the InChIKey of 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride?
The InChIKey is BQUUHZNSISSIJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO.ClH/c1-9(2)6-10(13)7-12-8-11(3,4)5;/h9-10,12-13H,6-8H2,1-5H3;1H.
What are the key properties of 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride?
1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride has a molecular weight of 223.79 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropylamino)-4-methylpentan-2-ol;hydrochloride is sourced from PubChem (CID 115607724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).