20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride

C28H60ClN — CID 172995497

IUPAC20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
SMILESCCCCC(CC)CCCCCCCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C28H59N.ClH/c1-5-7-25-28(6-2)26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-29(3)4;/h28H,5-27H2,1-4H3;1H
InChIKeyKUBXCNQOOIGSML-UHFFFAOYSA-N
MW446.25 g/mol
LogP10.21
Rot. Bonds24

About 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride

20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride (PubChem CID 172995497) has the molecular formula C28H60ClN and a molecular weight of 446.25 g/mol. Its IUPAC name is 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride.

Molecular Properties

Compound Name20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
PubChem CID172995497
Molecular FormulaC28H60ClN
Molecular Weight446.25 g/mol
Exact Mass445.44
IUPAC Name20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride
SMILESCCCCC(CC)CCCCCCCCCCCCCCCCCCCN(C)C.Cl
InChIInChI=1S/C28H59N.ClH/c1-5-7-25-28(6-2)26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-29(3)4;/h28H,5-27H2,1-4H3;1H
InChIKeyKUBXCNQOOIGSML-UHFFFAOYSA-N
XLogP10.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds24
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.25
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-N,1-N,13-N,13-N-tetramethylheptadecane-1,13-diamine
CID 91061045
N,N-dimethyloctan-1-amine;trihydrochloride
CID 172784847
N,N-dimethyltetracosan-1-amine;hydrochloride
CID 173002341
12-ethylhentriacontane
CID 91805956
15-ethyltetratriacontane
CID 23358557
7-ethyltetracosane
CID 22223872
7-ethyltetradecane
CID 529902
7-ethyltridecane;methane
CID 158982306
2-ethyl-N,N-dimethylundecan-1-amine
CID 87794341
N,N-dimethyloctan-1-amine
CID 161279104

Frequently Asked Questions

What is the IUPAC name of 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride?
The IUPAC name of 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride (CID 172995497) is 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride.
What is the SMILES notation for 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride?
The canonical SMILES for 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride is CCCCC(CC)CCCCCCCCCCCCCCCCCCCN(C)C.Cl.
What is the InChIKey of 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride?
The InChIKey is KUBXCNQOOIGSML-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H59N.ClH/c1-5-7-25-28(6-2)26-23-21-19-17-15-13-11-9-8-10-12-14-16-18-20-22-24-27-29(3)4;/h28H,5-27H2,1-4H3;1H.
What are the key properties of 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride?
20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride has a molecular weight of 446.25 g/mol, XLogP of 10.21, 24 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 20-ethyl-N,N-dimethyltetracosan-1-amine;hydrochloride is sourced from PubChem (CID 172995497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).