12-undecyltetracosan-12-amine;hydrochloride

C35H74ClN — CID 173403860

IUPAC12-undecyltetracosan-12-amine;hydrochloride
SMILESCCCCCCCCCCCCC(N)(CCCCCCCCCCC)CCCCCCCCCCC.Cl
InChIInChI=1S/C35H73N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-35(36,32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3;/h4-34,36H2,1-3H3;1H
InChIKeyWUGFHCARJGXXCX-UHFFFAOYSA-N
MW544.44 g/mol
LogP13.26
Rot. Bonds31

About 12-undecyltetracosan-12-amine;hydrochloride

12-undecyltetracosan-12-amine;hydrochloride (PubChem CID 173403860) has the molecular formula C35H74ClN and a molecular weight of 544.44 g/mol. Its IUPAC name is 12-undecyltetracosan-12-amine;hydrochloride.

Molecular Properties

Compound Name12-undecyltetracosan-12-amine;hydrochloride
PubChem CID173403860
Molecular FormulaC35H74ClN
Molecular Weight544.44 g/mol
Exact Mass543.55
IUPAC Name12-undecyltetracosan-12-amine;hydrochloride
SMILESCCCCCCCCCCCCC(N)(CCCCCCCCCCC)CCCCCCCCCCC.Cl
InChIInChI=1S/C35H73N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-35(36,32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3;/h4-34,36H2,1-3H3;1H
InChIKeyWUGFHCARJGXXCX-UHFFFAOYSA-N
XLogP13.26
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds31
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.44
LogP ≤ 513.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 12-undecyltetracosan-12-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

7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
11-decylhenicosan-11-amine
CID 19847882
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
12-undecyltricosan-12-amine;hydrate
CID 173445536
5-butylhexadecan-5-amine
CID 22244897
4-propylpentadecan-4-amine
CID 22244918
4-propylundecan-4-amine
CID 166728969
4-pentadecylheptane-1,4,7-triamine
CID 156536321
3-ethyltetracosan-3-amine;hydrochloride
CID 173207893
3-amino-3-hexadecylpentane-1,5-diol;hydrochloride
CID 173408839

Frequently Asked Questions

What is the IUPAC name of 12-undecyltetracosan-12-amine;hydrochloride?
The IUPAC name of 12-undecyltetracosan-12-amine;hydrochloride (CID 173403860) is 12-undecyltetracosan-12-amine;hydrochloride.
What is the SMILES notation for 12-undecyltetracosan-12-amine;hydrochloride?
The canonical SMILES for 12-undecyltetracosan-12-amine;hydrochloride is CCCCCCCCCCCCC(N)(CCCCCCCCCCC)CCCCCCCCCCC.Cl.
What is the InChIKey of 12-undecyltetracosan-12-amine;hydrochloride?
The InChIKey is WUGFHCARJGXXCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H73N.ClH/c1-4-7-10-13-16-19-22-25-28-31-34-35(36,32-29-26-23-20-17-14-11-8-5-2)33-30-27-24-21-18-15-12-9-6-3;/h4-34,36H2,1-3H3;1H.
What are the key properties of 12-undecyltetracosan-12-amine;hydrochloride?
12-undecyltetracosan-12-amine;hydrochloride has a molecular weight of 544.44 g/mol, XLogP of 13.26, 31 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 12-undecyltetracosan-12-amine;hydrochloride is sourced from PubChem (CID 173403860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).