11,13-didecyl-13-methyltricosan-11-amine

C44H91N — CID 150877960

IUPAC11,13-didecyl-13-methyltricosan-11-amine
SMILESCCCCCCCCCCC(C)(CCCCCCCCCC)CC(N)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C44H91N/c1-6-10-14-18-22-26-30-34-38-43(5,39-35-31-27-23-19-15-11-7-2)42-44(45,40-36-32-28-24-20-16-12-8-3)41-37-33-29-25-21-17-13-9-4/h6-42,45H2,1-5H3
InChIKeyKVKAQVSFZCECMF-UHFFFAOYSA-N
MW634.22 g/mol
LogP16.20
Rot. Bonds38

About 11,13-didecyl-13-methyltricosan-11-amine

11,13-didecyl-13-methyltricosan-11-amine (PubChem CID 150877960) has the molecular formula C44H91N and a molecular weight of 634.22 g/mol. Its IUPAC name is 11,13-didecyl-13-methyltricosan-11-amine.

Molecular Properties

Compound Name11,13-didecyl-13-methyltricosan-11-amine
PubChem CID150877960
Molecular FormulaC44H91N
Molecular Weight634.22 g/mol
Exact Mass633.72
IUPAC Name11,13-didecyl-13-methyltricosan-11-amine
SMILESCCCCCCCCCCC(C)(CCCCCCCCCC)CC(N)(CCCCCCCCCC)CCCCCCCCCC
InChIInChI=1S/C44H91N/c1-6-10-14-18-22-26-30-34-38-43(5,39-35-31-27-23-19-15-11-7-2)42-44(45,40-36-32-28-24-20-16-12-8-3)41-37-33-29-25-21-17-13-9-4/h6-42,45H2,1-5H3
InChIKeyKVKAQVSFZCECMF-UHFFFAOYSA-N
XLogP16.20
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds38
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500634.22
LogP ≤ 516.20
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

11-decylhenicosan-11-amine
CID 19847882
7-hexylpentadecan-7-amine;hydrochloride
CID 173241489
10-nonylnonadecan-10-amine;hydroiodide
CID 173404185
5-butylhexadecan-5-amine
CID 22244897
12-undecyltricosan-12-amine;hydrate
CID 173445536
9-heptylheptadecan-9-amine;hydrochloride
CID 173435584
15-tetradecylnonacosan-15-amine;hydrochloride
CID 173325035
12-undecyltetracosan-12-amine;hydrochloride
CID 173403860
13-methyl-13-octylhentriacontane
CID 173152457
11-methyl-11-nonylhenicosane
CID 19690388
3-ethylnonadecan-3-amine
CID 19028625
4-propylundecan-4-amine
CID 166728969

Frequently Asked Questions

What is the IUPAC name of 11,13-didecyl-13-methyltricosan-11-amine?
The IUPAC name of 11,13-didecyl-13-methyltricosan-11-amine (CID 150877960) is 11,13-didecyl-13-methyltricosan-11-amine.
What is the SMILES notation for 11,13-didecyl-13-methyltricosan-11-amine?
The canonical SMILES for 11,13-didecyl-13-methyltricosan-11-amine is CCCCCCCCCCC(C)(CCCCCCCCCC)CC(N)(CCCCCCCCCC)CCCCCCCCCC.
What is the InChIKey of 11,13-didecyl-13-methyltricosan-11-amine?
The InChIKey is KVKAQVSFZCECMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H91N/c1-6-10-14-18-22-26-30-34-38-43(5,39-35-31-27-23-19-15-11-7-2)42-44(45,40-36-32-28-24-20-16-12-8-3)41-37-33-29-25-21-17-13-9-4/h6-42,45H2,1-5H3.
What are the key properties of 11,13-didecyl-13-methyltricosan-11-amine?
11,13-didecyl-13-methyltricosan-11-amine has a molecular weight of 634.22 g/mol, XLogP of 16.20, 38 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,13-didecyl-13-methyltricosan-11-amine is sourced from PubChem (CID 150877960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).