2-methylpentacosan-2-amine;hydrochloride

C26H56ClN — CID 173079320

IUPAC2-methylpentacosan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)N.Cl
InChIInChI=1S/C26H55N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)27;/h4-25,27H2,1-3H3;1H
InChIKeyFRYXQZMEYPETDP-UHFFFAOYSA-N
MW418.19 g/mol
LogP9.75
Rot. Bonds22

About 2-methylpentacosan-2-amine;hydrochloride

2-methylpentacosan-2-amine;hydrochloride (PubChem CID 173079320) has the molecular formula C26H56ClN and a molecular weight of 418.19 g/mol. Its IUPAC name is 2-methylpentacosan-2-amine;hydrochloride.

Molecular Properties

Compound Name2-methylpentacosan-2-amine;hydrochloride
PubChem CID173079320
Molecular FormulaC26H56ClN
Molecular Weight418.19 g/mol
Exact Mass417.41
IUPAC Name2-methylpentacosan-2-amine;hydrochloride
SMILESCCCCCCCCCCCCCCCCCCCCCCCC(C)(C)N.Cl
InChIInChI=1S/C26H55N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)27;/h4-25,27H2,1-3H3;1H
InChIKeyFRYXQZMEYPETDP-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'}

Analyze 2-methylpentacosan-2-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyltricosan-2-amine;hydrochloride
CID 146444056
2-methylheptadecan-2-amine;dihydrobromide
CID 175361639
2-methylpentadecan-2-amine;hydroiodide
CID 175554566
2-methylnonacosan-2-amine;hydrobromide
CID 174437586
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
2,4,4-trimethyldodecan-2-amine
CID 88894727
methyl hydrogen sulfate;2-methylnonadecan-2-amine
CID 173392018
tetracosane-6,6-diamine
CID 154005419
11-decylhenicosan-11-amine
CID 19847882

Frequently Asked Questions

What is the IUPAC name of 2-methylpentacosan-2-amine;hydrochloride?
The IUPAC name of 2-methylpentacosan-2-amine;hydrochloride (CID 173079320) is 2-methylpentacosan-2-amine;hydrochloride.
What is the SMILES notation for 2-methylpentacosan-2-amine;hydrochloride?
The canonical SMILES for 2-methylpentacosan-2-amine;hydrochloride is CCCCCCCCCCCCCCCCCCCCCCCC(C)(C)N.Cl.
What is the InChIKey of 2-methylpentacosan-2-amine;hydrochloride?
The InChIKey is FRYXQZMEYPETDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H55N.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(2,3)27;/h4-25,27H2,1-3H3;1H.
What are the key properties of 2-methylpentacosan-2-amine;hydrochloride?
2-methylpentacosan-2-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 2-methylpentacosan-2-amine;hydrochloride is sourced from PubChem (CID 173079320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).