13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride

C17H37Cl2NO — CID 173023380

IUPAC13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride
SMILESCC(O)CCCCCCCCCCC(Cl)CCN(C)C.Cl
InChIInChI=1S/C17H36ClNO.ClH/c1-16(20)12-10-8-6-4-5-7-9-11-13-17(18)14-15-19(2)3;/h16-17,20H,4-15H2,1-3H3;1H
InChIKeyFAAJZXPJRCMQHS-UHFFFAOYSA-N
MW342.40 g/mol
LogP5.25
Rot. Bonds14

About 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride

13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride (PubChem CID 173023380) has the molecular formula C17H37Cl2NO and a molecular weight of 342.40 g/mol. Its IUPAC name is 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride.

Molecular Properties

Compound Name13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride
PubChem CID173023380
Molecular FormulaC17H37Cl2NO
Molecular Weight342.40 g/mol
Exact Mass341.23
IUPAC Name13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride
SMILESCC(O)CCCCCCCCCCC(Cl)CCN(C)C.Cl
InChIInChI=1S/C17H36ClNO.ClH/c1-16(20)12-10-8-6-4-5-7-9-11-13-17(18)14-15-19(2)3;/h16-17,20H,4-15H2,1-3H3;1H
InChIKeyFAAJZXPJRCMQHS-UHFFFAOYSA-N
XLogP5.25
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.40
LogP ≤ 55.25
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

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CID 63701347
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CID 87473961
10-chlorodecan-2-ol
CID 139625659
(2R)-9-chlorononan-2-ol
CID 139766902
1-(dimethylamino)octane-2,7-diol
CID 123214691
3-(dimethylamino)propane-1,1-diol;hydrochloride
CID 173336782
(2S)-5-chloropentan-2-ol
CID 12659782
6-chloro-4-(dimethylamino)tetradecan-2-ol;hydrochloride
CID 173284024
N,N,20-trimethylhenicosan-1-amine;hydrochloride
CID 173055097
7-(diethylamino)heptan-2-ol
CID 168866586
(10S)-undecane-1,10-diol
CID 129382222
henicosane-1,20-diol
CID 86247204

Frequently Asked Questions

What is the IUPAC name of 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride?
The IUPAC name of 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride (CID 173023380) is 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride.
What is the SMILES notation for 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride?
The canonical SMILES for 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride is CC(O)CCCCCCCCCCC(Cl)CCN(C)C.Cl.
What is the InChIKey of 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride?
The InChIKey is FAAJZXPJRCMQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36ClNO.ClH/c1-16(20)12-10-8-6-4-5-7-9-11-13-17(18)14-15-19(2)3;/h16-17,20H,4-15H2,1-3H3;1H.
What are the key properties of 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride?
13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride has a molecular weight of 342.40 g/mol, XLogP of 5.25, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-chloro-15-(dimethylamino)pentadecan-2-ol;hydrochloride is sourced from PubChem (CID 173023380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).