1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine

C20H37N5 — CID 15417240

IUPAC1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine
SMILESCCCN=c1/c(=N\CCC)c(NCCC)c(NCCC)/c1=N/CCC
InChIInChI=1S/C20H37N5/c1-6-11-21-16-17(22-12-7-2)19(24-14-9-4)20(25-15-10-5)18(16)23-13-8-3/h21-22H,6-15H2,1-5H3/b23-18-,24-19-
InChIKeyGGBXSVKBENPROP-KVOJEJHXSA-N
MW347.55 g/mol
LogP3.14
Rot. Bonds12

About 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine

1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine (PubChem CID 15417240) has the molecular formula C20H37N5 and a molecular weight of 347.55 g/mol. Its IUPAC name is 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine
PubChem CID15417240
Molecular FormulaC20H37N5
Molecular Weight347.55 g/mol
Exact Mass347.30
IUPAC Name1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine
SMILESCCCN=c1/c(=N\CCC)c(NCCC)c(NCCC)/c1=N/CCC
InChIInChI=1S/C20H37N5/c1-6-11-21-16-17(22-12-7-2)19(24-14-9-4)20(25-15-10-5)18(16)23-13-8-3/h21-22H,6-15H2,1-5H3/b23-18-,24-19-
InChIKeyGGBXSVKBENPROP-KVOJEJHXSA-N
XLogP3.14
TPSA61.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine?
The IUPAC name of 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine (CID 15417240) is 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine?
The canonical SMILES for 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine is CCCN=c1/c(=N\CCC)c(NCCC)c(NCCC)/c1=N/CCC.
What is the InChIKey of 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine?
The InChIKey is GGBXSVKBENPROP-KVOJEJHXSA-N. The full InChI is InChI=1S/C20H37N5/c1-6-11-21-16-17(22-12-7-2)19(24-14-9-4)20(25-15-10-5)18(16)23-13-8-3/h21-22H,6-15H2,1-5H3/b23-18-,24-19-.
What are the key properties of 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine?
1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine has a molecular weight of 347.55 g/mol, XLogP of 3.14, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dipropyl-3,4,5-tris(propylimino)cyclopentene-1,2-diamine is sourced from PubChem (CID 15417240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).