6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride

C13H29Cl2NO — CID 173284113

IUPAC6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride
SMILESCCCC(Cl)CC(CC(C)O)N(CC)CC.Cl
InChIInChI=1S/C13H28ClNO.ClH/c1-5-8-12(14)10-13(9-11(4)16)15(6-2)7-3;/h11-13,16H,5-10H2,1-4H3;1H
InChIKeyMWEHXUVHZNWNDA-UHFFFAOYSA-N
MW286.29 g/mol
LogP3.69
Rot. Bonds9

About 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride

6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride (PubChem CID 173284113) has the molecular formula C13H29Cl2NO and a molecular weight of 286.29 g/mol. Its IUPAC name is 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride
PubChem CID173284113
Molecular FormulaC13H29Cl2NO
Molecular Weight286.29 g/mol
Exact Mass285.16
IUPAC Name6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride
SMILESCCCC(Cl)CC(CC(C)O)N(CC)CC.Cl
InChIInChI=1S/C13H28ClNO.ClH/c1-5-8-12(14)10-13(9-11(4)16)15(6-2)7-3;/h11-13,16H,5-10H2,1-4H3;1H
InChIKeyMWEHXUVHZNWNDA-UHFFFAOYSA-N
XLogP3.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 53.69
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

6-chloro-4-(diethylamino)octan-2-ol;hydrochloride
CID 173283318
6-chloro-4-(diethylamino)pentadecan-2-ol
CID 87350361
6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride
CID 173284024
heptane-2,4-diol
CID 161420509
6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride
CID 173284115
(2R)-pentan-2-ol
CID 7014876
(2R,4R)-4-heptan-4-yloxypentan-2-ol
CID 134978690
1,3-dichloro-1-(1,3-dichlorohexoxy)hexane
CID 56996879
nonane-2,4,6-triol
CID 87069137
2,5-dichlorooctane
CID 56987607
N,N-diethyl-3,4-dimethylheptan-2-amine
CID 90920485
4-[bis(4-hydroxypentan-2-yl)amino]pentan-2-ol
CID 142726782

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride?
The IUPAC name of 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride (CID 173284113) is 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride.
What is the SMILES notation for 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride?
The canonical SMILES for 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride is CCCC(Cl)CC(CC(C)O)N(CC)CC.Cl.
What is the InChIKey of 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride?
The InChIKey is MWEHXUVHZNWNDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28ClNO.ClH/c1-5-8-12(14)10-13(9-11(4)16)15(6-2)7-3;/h11-13,16H,5-10H2,1-4H3;1H.
What are the key properties of 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride?
6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride has a molecular weight of 286.29 g/mol, XLogP of 3.69, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(diethylamino)nonan-2-ol;hydrochloride is sourced from PubChem (CID 173284113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).