6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride

C8H19Cl2NO — CID 173284115

IUPAC6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride
SMILESCC(O)CC(CCCl)N(C)C.Cl
InChIInChI=1S/C8H18ClNO.ClH/c1-7(11)6-8(4-5-9)10(2)3;/h7-8,11H,4-6H2,1-3H3;1H
InChIKeyBRLQWYZAENCZOW-UHFFFAOYSA-N
MW216.15 g/mol
LogP1.74
Rot. Bonds5

About 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride

6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride (PubChem CID 173284115) has the molecular formula C8H19Cl2NO and a molecular weight of 216.15 g/mol. Its IUPAC name is 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride
PubChem CID173284115
Molecular FormulaC8H19Cl2NO
Molecular Weight216.15 g/mol
Exact Mass215.08
IUPAC Name6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride
SMILESCC(O)CC(CCCl)N(C)C.Cl
InChIInChI=1S/C8H18ClNO.ClH/c1-7(11)6-8(4-5-9)10(2)3;/h7-8,11H,4-6H2,1-3H3;1H
InChIKeyBRLQWYZAENCZOW-UHFFFAOYSA-N
XLogP1.74
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.15
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-N,N-dimethylpentan-3-amine
CID 116907512
6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride
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4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 142726769
4-[4-hydroxypentan-2-yl(methyl)amino]pentan-2-ol
CID 158257975
4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol
CID 142726782
6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride
CID 173284113
1-chloro-4-(dimethylamino)henicosan-2-ol
CID 87772993
1-chloro-3-methylbutane;hydrochloride
CID 172682521
(2S)-5-chloropentan-2-ol
CID 12659782
6-chloro-4-(diethylamino)octan-2-ol;hydrochloride
CID 173283318
iron(2+);bis(pentane-2,4-diol)
CID 161218003
tris(pentane-2,4-diol);ruthenium
CID 5231187

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride?
The IUPAC name of 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride (CID 173284115) is 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride.
What is the SMILES notation for 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride?
The canonical SMILES for 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride is CC(O)CC(CCCl)N(C)C.Cl.
What is the InChIKey of 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride?
The InChIKey is BRLQWYZAENCZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18ClNO.ClH/c1-7(11)6-8(4-5-9)10(2)3;/h7-8,11H,4-6H2,1-3H3;1H.
What are the key properties of 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride?
6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride has a molecular weight of 216.15 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride is sourced from PubChem (CID 173284115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).