1,4,7,10,13-pentazacyclopentadec-13-ene

C10H23N5 — CID 22957940

IUPAC1,4,7,10,13-pentazacyclopentadec-13-ene
SMILESC1=N\CCNCCNCCNCCNC/1
InChIInChI=1S/C10H23N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1,12-15H,2-10H2/b11-1-
InChIKeyYNOSDWCSHAKQSH-TYULJFPZSA-N
MW213.33 g/mol
LogP-1.57
Rot. Bonds

About 1,4,7,10,13-pentazacyclopentadec-13-ene

1,4,7,10,13-pentazacyclopentadec-13-ene (PubChem CID 22957940) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1,4,7,10,13-pentazacyclopentadec-13-ene.

Molecular Properties

Compound Name1,4,7,10,13-pentazacyclopentadec-13-ene
PubChem CID22957940
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1,4,7,10,13-pentazacyclopentadec-13-ene
SMILESC1=N\CCNCCNCCNCCNC/1
InChIInChI=1S/C10H23N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1,12-15H,2-10H2/b11-1-
InChIKeyYNOSDWCSHAKQSH-TYULJFPZSA-N
XLogP-1.57
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-1.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4,7,10,13-pentazacyclopentadec-13-ene?
The IUPAC name of 1,4,7,10,13-pentazacyclopentadec-13-ene (CID 22957940) is 1,4,7,10,13-pentazacyclopentadec-13-ene.
What is the SMILES notation for 1,4,7,10,13-pentazacyclopentadec-13-ene?
The canonical SMILES for 1,4,7,10,13-pentazacyclopentadec-13-ene is C1=N\CCNCCNCCNCCNC/1.
What is the InChIKey of 1,4,7,10,13-pentazacyclopentadec-13-ene?
The InChIKey is YNOSDWCSHAKQSH-TYULJFPZSA-N. The full InChI is InChI=1S/C10H23N5/c1-2-12-5-6-14-9-10-15-8-7-13-4-3-11-1/h1,12-15H,2-10H2/b11-1-.
What are the key properties of 1,4,7,10,13-pentazacyclopentadec-13-ene?
1,4,7,10,13-pentazacyclopentadec-13-ene has a molecular weight of 213.33 g/mol, XLogP of -1.57, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10,13-pentazacyclopentadec-13-ene is sourced from PubChem (CID 22957940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).