15-tetradecyltriacontane-15,16-diamine

C44H92N2 — CID 129286411

IUPAC15-tetradecyltriacontane-15,16-diamine
SMILESCCCCCCCCCCCCCCC(N)C(N)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C44H92N2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(45)44(46,41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43H,4-42,45-46H2,1-3H3
InChIKeyGIOZVLMKWXUFGA-UHFFFAOYSA-N
MW649.23 g/mol
LogP15.28
Rot. Bonds40

About 15-tetradecyltriacontane-15,16-diamine

15-tetradecyltriacontane-15,16-diamine (PubChem CID 129286411) has the molecular formula C44H92N2 and a molecular weight of 649.23 g/mol. Its IUPAC name is 15-tetradecyltriacontane-15,16-diamine.

Molecular Properties

Compound Name15-tetradecyltriacontane-15,16-diamine
PubChem CID129286411
Molecular FormulaC44H92N2
Molecular Weight649.23 g/mol
Exact Mass648.73
IUPAC Name15-tetradecyltriacontane-15,16-diamine
SMILESCCCCCCCCCCCCCCC(N)C(N)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC
InChIInChI=1S/C44H92N2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(45)44(46,41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43H,4-42,45-46H2,1-3H3
InChIKeyGIOZVLMKWXUFGA-UHFFFAOYSA-N
XLogP15.28
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds40
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500649.23
LogP ≤ 515.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 87777524
9-octyl-10-pentyloctadecan-9-amine
CID 87446758
8,9-diheptylhenicosan-8-amine;hydrochloride
CID 173157865
8,9-diheptyltricosan-8-amine;hydrobromide
CID 173158343
7,8-dihexylicosan-7-amine;hydrobromide
CID 173041411
7,8-dihexylheptadecan-7-amine;hydrobromide
CID 173157793
2-methyldecane-2,3-diamine
CID 87934186
14-aminohexacosane-13,13-diol
CID 19607501
8-heptyl-9-propylhexadecan-8-amine;hydroiodide
CID 173157540
3-ethyldocos-13-ene-3,4-diamine
CID 54511499
(3R)-2,2-dimethylpentadecan-3-amine
CID 124525155
2,2-dimethyldodecan-3-amine
CID 43370499

Frequently Asked Questions

What is the IUPAC name of 15-tetradecyltriacontane-15,16-diamine?
The IUPAC name of 15-tetradecyltriacontane-15,16-diamine (CID 129286411) is 15-tetradecyltriacontane-15,16-diamine.
What is the SMILES notation for 15-tetradecyltriacontane-15,16-diamine?
The canonical SMILES for 15-tetradecyltriacontane-15,16-diamine is CCCCCCCCCCCCCCC(N)C(N)(CCCCCCCCCCCCCC)CCCCCCCCCCCCCC.
What is the InChIKey of 15-tetradecyltriacontane-15,16-diamine?
The InChIKey is GIOZVLMKWXUFGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C44H92N2/c1-4-7-10-13-16-19-22-25-28-31-34-37-40-43(45)44(46,41-38-35-32-29-26-23-20-17-14-11-8-5-2)42-39-36-33-30-27-24-21-18-15-12-9-6-3/h43H,4-42,45-46H2,1-3H3.
What are the key properties of 15-tetradecyltriacontane-15,16-diamine?
15-tetradecyltriacontane-15,16-diamine has a molecular weight of 649.23 g/mol, XLogP of 15.28, 40 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 15-tetradecyltriacontane-15,16-diamine is sourced from PubChem (CID 129286411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).