3-ethyltetracosan-3-amine;hydrochloride

C26H56ClN — CID 173207893

IUPAC3-ethyltetracosan-3-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCC(N)(CC)CC.Cl
InChIInChI=1S/C26H55N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27,5-2)6-3;/h4-25,27H2,1-3H3;1H
InChIKeyTXCSYOSIMQJGBW-UHFFFAOYSA-N
MW418.19 g/mol
LogP9.75
Rot. Bonds22

About 3-ethyltetracosan-3-amine;hydrochloride

3-ethyltetracosan-3-amine;hydrochloride (PubChem CID 173207893) has the molecular formula C26H56ClN and a molecular weight of 418.19 g/mol. Its IUPAC name is 3-ethyltetracosan-3-amine;hydrochloride.

Molecular Properties

Compound Name3-ethyltetracosan-3-amine;hydrochloride
PubChem CID173207893
Molecular FormulaC26H56ClN
Molecular Weight418.19 g/mol
Exact Mass417.41
IUPAC Name3-ethyltetracosan-3-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCC(N)(CC)CC.Cl
InChIInChI=1S/C26H55N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27,5-2)6-3;/h4-25,27H2,1-3H3;1H
InChIKeyTXCSYOSIMQJGBW-UHFFFAOYSA-N
XLogP9.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds22
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.19
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-ethylnonadecan-3-amine
CID 19028625
3-ethyloctan-3-amine
CID 19350108
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
6-ethylundecan-6-amine
CID 173250227
11-decylhenicosan-11-amine
CID 19847882
3-ethylheptan-3-amine
CID 12708037
5-butylhexadecan-5-amine
CID 22244897
12-undecyltricosan-12-amine;hydrate
CID 173445536
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185

Frequently Asked Questions

What is the IUPAC name of 3-ethyltetracosan-3-amine;hydrochloride?
The IUPAC name of 3-ethyltetracosan-3-amine;hydrochloride (CID 173207893) is 3-ethyltetracosan-3-amine;hydrochloride.
What is the SMILES notation for 3-ethyltetracosan-3-amine;hydrochloride?
The canonical SMILES for 3-ethyltetracosan-3-amine;hydrochloride is CCCCCCCCCCCCCCCCCCCCCC(N)(CC)CC.Cl.
What is the InChIKey of 3-ethyltetracosan-3-amine;hydrochloride?
The InChIKey is TXCSYOSIMQJGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27,5-2)6-3;/h4-25,27H2,1-3H3;1H.
What are the key properties of 3-ethyltetracosan-3-amine;hydrochloride?
3-ethyltetracosan-3-amine;hydrochloride has a molecular weight of 418.19 g/mol, XLogP of 9.75, 22 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyltetracosan-3-amine;hydrochloride is sourced from PubChem (CID 173207893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).