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

C16H35Cl2NO — CID 173284024

IUPAC6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride
SMILESCCCCCCCCC(Cl)CC(CC(C)O)N(C)C.Cl
InChIInChI=1S/C16H34ClNO.ClH/c1-5-6-7-8-9-10-11-15(17)13-16(18(3)4)12-14(2)19;/h14-16,19H,5-13H2,1-4H3;1H
InChIKeyFGSYCQNOQJWTEK-UHFFFAOYSA-N
MW328.37 g/mol
LogP4.86
Rot. Bonds12

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

6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride (PubChem CID 173284024) has the molecular formula C16H35Cl2NO and a molecular weight of 328.37 g/mol. Its IUPAC name is 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride.

Molecular Properties

Compound Name6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride
PubChem CID173284024
Molecular FormulaC16H35Cl2NO
Molecular Weight328.37 g/mol
Exact Mass327.21
IUPAC Name6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride
SMILESCCCCCCCCC(Cl)CC(CC(C)O)N(C)C.Cl
InChIInChI=1S/C16H34ClNO.ClH/c1-5-6-7-8-9-10-11-15(17)13-16(18(3)4)12-14(2)19;/h14-16,19H,5-13H2,1-4H3;1H
InChIKeyFGSYCQNOQJWTEK-UHFFFAOYSA-N
XLogP4.86
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-4-(diethylamino)pentadecan-2-ol
CID 87350361
N,N,11-trimethylpentacosan-13-amine;hydrochloride
CID 173231447
1-chloro-4-(dimethylamino)henicosan-2-ol
CID 87772993
(10R)-N,N-dimethylheptacosan-10-amine
CID 134549801
N,N-dimethyltetracontan-19-amine
CID 45382230
2-chloro-N,N-dimethylnonan-1-amine;hydrochloride
CID 174462199
6-chloro-4-(dimethylamino)hexan-2-ol;hydrochloride
CID 173284115
17-chlorotritriacontane
CID 87852962
(2R,4R)-decane-2,4-diol
CID 16752205
N,N-dimethylpentadecan-8-amine;hydrobromide
CID 173437553
N,N-dimethylicosan-7-amine;hydrobromide
CID 173410689
N,N-dimethylnonadecan-2-amine;hydrochloride
CID 175046684

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride?
The IUPAC name of 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride (CID 173284024) is 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride.
What is the SMILES notation for 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride?
The canonical SMILES for 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride is CCCCCCCCC(Cl)CC(CC(C)O)N(C)C.Cl.
What is the InChIKey of 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride?
The InChIKey is FGSYCQNOQJWTEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34ClNO.ClH/c1-5-6-7-8-9-10-11-15(17)13-16(18(3)4)12-14(2)19;/h14-16,19H,5-13H2,1-4H3;1H.
What are the key properties of 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride?
6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride has a molecular weight of 328.37 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride is sourced from PubChem (CID 173284024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).