icosane-1,20-diamine;nonadecane-1,19-diamine

C39H86N4 — CID 155315822

IUPACicosane-1,20-diamine;nonadecane-1,19-diamine
SMILESNCCCCCCCCCCCCCCCCCCCCN.NCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C20H44N2.C19H42N2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22;20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h1-22H2;1-21H2
InChIKeyUIXYZTBUOGVSRX-UHFFFAOYSA-N
MW611.15 g/mol
LogP11.46
Rot. Bonds37

About icosane-1,20-diamine;nonadecane-1,19-diamine

icosane-1,20-diamine;nonadecane-1,19-diamine (PubChem CID 155315822) has the molecular formula C39H86N4 and a molecular weight of 611.15 g/mol. Its IUPAC name is icosane-1,20-diamine;nonadecane-1,19-diamine.

Molecular Properties

Compound Nameicosane-1,20-diamine;nonadecane-1,19-diamine
PubChem CID155315822
Molecular FormulaC39H86N4
Molecular Weight611.15 g/mol
Exact Mass610.69
IUPAC Nameicosane-1,20-diamine;nonadecane-1,19-diamine
SMILESNCCCCCCCCCCCCCCCCCCCCN.NCCCCCCCCCCCCCCCCCCCN
InChIInChI=1S/C20H44N2.C19H42N2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22;20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h1-22H2;1-21H2
InChIKeyUIXYZTBUOGVSRX-UHFFFAOYSA-N
XLogP11.46
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds37
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500611.15
LogP ≤ 511.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze icosane-1,20-diamine;nonadecane-1,19-diamine 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

octatriacontane-1,38-diamine
CID 54235792
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 icosane-1,20-diamine;nonadecane-1,19-diamine?
The IUPAC name of icosane-1,20-diamine;nonadecane-1,19-diamine (CID 155315822) is icosane-1,20-diamine;nonadecane-1,19-diamine.
What is the SMILES notation for icosane-1,20-diamine;nonadecane-1,19-diamine?
The canonical SMILES for icosane-1,20-diamine;nonadecane-1,19-diamine is NCCCCCCCCCCCCCCCCCCCCN.NCCCCCCCCCCCCCCCCCCCN.
What is the InChIKey of icosane-1,20-diamine;nonadecane-1,19-diamine?
The InChIKey is UIXYZTBUOGVSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N2.C19H42N2/c21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22;20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21/h1-22H2;1-21H2.
What are the key properties of icosane-1,20-diamine;nonadecane-1,19-diamine?
icosane-1,20-diamine;nonadecane-1,19-diamine has a molecular weight of 611.15 g/mol, XLogP of 11.46, 37 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for icosane-1,20-diamine;nonadecane-1,19-diamine is sourced from PubChem (CID 155315822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).