hexacosane-1,1-diamine

C26H56N2 — CID 137375175

IUPAChexacosane-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(N)N
InChIInChI=1S/C26H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h26H,2-25,27-28H2,1H3
InChIKeyNQZHBAHTUIDZLN-UHFFFAOYSA-N
MW396.75 g/mol
LogP8.61
Rot. Bonds24

About hexacosane-1,1-diamine

hexacosane-1,1-diamine (PubChem CID 137375175) has the molecular formula C26H56N2 and a molecular weight of 396.75 g/mol. Its IUPAC name is hexacosane-1,1-diamine.

Molecular Properties

Compound Namehexacosane-1,1-diamine
PubChem CID137375175
Molecular FormulaC26H56N2
Molecular Weight396.75 g/mol
Exact Mass396.44
IUPAC Namehexacosane-1,1-diamine
SMILESCCCCCCCCCCCCCCCCCCCCCCCCCC(N)N
InChIInChI=1S/C26H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h26H,2-25,27-28H2,1H3
InChIKeyNQZHBAHTUIDZLN-UHFFFAOYSA-N
XLogP8.61
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds24
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.75
LogP ≤ 58.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

hexatriacontane-1,1-diamine
CID 21495844
tetradecane-1,1-diamine;dihydrochloride
CID 21115936
hexane-1,1-diamine;hydrobromide
CID 141245501
heptane-1,1-diamine;octane-1,8-diamine
CID 87723894
pentacosan-7-amine
CID 88938409
nonapentacontan-30-amine
CID 118952570
dodecane-1,1,12,12-tetramine
CID 57282204
hexadecane-6,7-diamine
CID 57245820
henicosane-8,14-diamine;dihydrochloride
CID 170909168
octadecan-9-amine;hydrochloride
CID 19002510
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547

Frequently Asked Questions

What is the IUPAC name of hexacosane-1,1-diamine?
The IUPAC name of hexacosane-1,1-diamine (CID 137375175) is hexacosane-1,1-diamine.
What is the SMILES notation for hexacosane-1,1-diamine?
The canonical SMILES for hexacosane-1,1-diamine is CCCCCCCCCCCCCCCCCCCCCCCCCC(N)N.
What is the InChIKey of hexacosane-1,1-diamine?
The InChIKey is NQZHBAHTUIDZLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26(27)28/h26H,2-25,27-28H2,1H3.
What are the key properties of hexacosane-1,1-diamine?
hexacosane-1,1-diamine has a molecular weight of 396.75 g/mol, XLogP of 8.61, 24 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for hexacosane-1,1-diamine is sourced from PubChem (CID 137375175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).