N,N'-dipropylicosane-1,20-diamine;dihydrobromide

C26H58Br2N2 — CID 173263708

IUPACN,N'-dipropylicosane-1,20-diamine;dihydrobromide
SMILESBr.Br.CCCNCCCCCCCCCCCCCCCCCCCCNCCC
InChIInChI=1S/C26H56N2.2BrH/c1-3-23-27-25-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-26-28-24-4-2;;/h27-28H,3-26H2,1-2H3;2*1H
InChIKeyYCQGVFKYVUKQDF-UHFFFAOYSA-N
MW558.57 g/mol
LogP9.16
Rot. Bonds25

About N,N'-dipropylicosane-1,20-diamine;dihydrobromide

N,N'-dipropylicosane-1,20-diamine;dihydrobromide (PubChem CID 173263708) has the molecular formula C26H58Br2N2 and a molecular weight of 558.57 g/mol. Its IUPAC name is N,N'-dipropylicosane-1,20-diamine;dihydrobromide.

Molecular Properties

Compound NameN,N'-dipropylicosane-1,20-diamine;dihydrobromide
PubChem CID173263708
Molecular FormulaC26H58Br2N2
Molecular Weight558.57 g/mol
Exact Mass556.30
IUPAC NameN,N'-dipropylicosane-1,20-diamine;dihydrobromide
SMILESBr.Br.CCCNCCCCCCCCCCCCCCCCCCCCNCCC
InChIInChI=1S/C26H56N2.2BrH/c1-3-23-27-25-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-26-28-24-4-2;;/h27-28H,3-26H2,1-2H3;2*1H
InChIKeyYCQGVFKYVUKQDF-UHFFFAOYSA-N
XLogP9.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds25
Heavy Atoms30
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.57
LogP ≤ 59.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-dipropylicosane-1,20-diamine;dihydrobromide 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

N-propylhexadecan-1-amine
CID 18792182
N-propyloctadecan-1-amine;hydrofluoride
CID 88723062
N-propylhexadecan-1-amine;hydroiodide
CID 175532385
N-propyldodecan-1-amine;hydrate
CID 175137397
azane;N-propyltetradecan-1-amine
CID 18792183
N-ethyl-N'-propylbutane-1,4-diamine
CID 54079202
12-iodo-N-propyldodecan-1-amine
CID 166998294
6-(propylamino)hexane-1-thiol
CID 170060999
octane;N-octylnonan-1-amine
CID 145152206
N-hexyltridecan-1-amine
CID 87659278
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161

Frequently Asked Questions

What is the IUPAC name of N,N'-dipropylicosane-1,20-diamine;dihydrobromide?
The IUPAC name of N,N'-dipropylicosane-1,20-diamine;dihydrobromide (CID 173263708) is N,N'-dipropylicosane-1,20-diamine;dihydrobromide.
What is the SMILES notation for N,N'-dipropylicosane-1,20-diamine;dihydrobromide?
The canonical SMILES for N,N'-dipropylicosane-1,20-diamine;dihydrobromide is Br.Br.CCCNCCCCCCCCCCCCCCCCCCCCNCCC.
What is the InChIKey of N,N'-dipropylicosane-1,20-diamine;dihydrobromide?
The InChIKey is YCQGVFKYVUKQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H56N2.2BrH/c1-3-23-27-25-21-19-17-15-13-11-9-7-5-6-8-10-12-14-16-18-20-22-26-28-24-4-2;;/h27-28H,3-26H2,1-2H3;2*1H.
What are the key properties of N,N'-dipropylicosane-1,20-diamine;dihydrobromide?
N,N'-dipropylicosane-1,20-diamine;dihydrobromide has a molecular weight of 558.57 g/mol, XLogP of 9.16, 25 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dipropylicosane-1,20-diamine;dihydrobromide is sourced from PubChem (CID 173263708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).