octatriacontane-1,38-diamine

C38H80N2 — CID 54235792

IUPACoctatriacontane-1,38-diamine
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C38H80N2/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40/h1-40H2
InChIKeyQMMGQIWFIDAXGP-UHFFFAOYSA-N
MW565.07 g/mol
LogP12.95
Rot. Bonds37

About octatriacontane-1,38-diamine

octatriacontane-1,38-diamine (PubChem CID 54235792) has the molecular formula C38H80N2 and a molecular weight of 565.07 g/mol. Its IUPAC name is octatriacontane-1,38-diamine.

Molecular Properties

Compound Nameoctatriacontane-1,38-diamine
PubChem CID54235792
Molecular FormulaC38H80N2
Molecular Weight565.07 g/mol
Exact Mass564.63
IUPAC Nameoctatriacontane-1,38-diamine
SMILESNCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C38H80N2/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40/h1-40H2
InChIKeyQMMGQIWFIDAXGP-UHFFFAOYSA-N
XLogP12.95
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds37
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.07
LogP ≤ 512.95
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

icosane-1,20-diamine;nonadecane-1,19-diamine
CID 155315822
decane-1,10-diamine;nonane-1,9-diamine
CID 18179225
pentane-1,5-diamine;tantalum
CID 159829635
butane-1,4-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 159415786
heptane-1,7-diamine;tetrahydrobromide
CID 174950337
octane-1,8-diamine;hydroiodide
CID 166637894
pentane-1,5-diamine;dihydrobromide
CID 87582695
hexane-1,6-diamine;platinum
CID 87698683
azane;tetrakis(hexane-1,6-diamine);tris(platinum(2+))
CID 11693801
ethene;pentane-1,5-diamine
CID 155743145
hexane-1,6-diamine;methanamine
CID 174275715
ethane-1,2-diamine;hexane-1,6-diamine;propane-1,3-diamine
CID 174976752

Frequently Asked Questions

What is the IUPAC name of octatriacontane-1,38-diamine?
The IUPAC name of octatriacontane-1,38-diamine (CID 54235792) is octatriacontane-1,38-diamine.
What is the SMILES notation for octatriacontane-1,38-diamine?
The canonical SMILES for octatriacontane-1,38-diamine is NCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCN.
What is the InChIKey of octatriacontane-1,38-diamine?
The InChIKey is QMMGQIWFIDAXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H80N2/c39-37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-38-40/h1-40H2.
What are the key properties of octatriacontane-1,38-diamine?
octatriacontane-1,38-diamine has a molecular weight of 565.07 g/mol, XLogP of 12.95, 37 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for octatriacontane-1,38-diamine is sourced from PubChem (CID 54235792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).