(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene

C11H23N5 — CID 59529661

IUPAC(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
SMILESC1=C\NCCNCCNCCNCC\N=C/1
InChIInChI=1S/C11H23N5/c1-2-12-4-6-14-8-10-16-11-9-15-7-5-13-3-1/h1-3,12,14-16H,4-11H2/b2-1-,13-3-
InChIKeyQEHYGLWWICOHRH-IQTQREKJSA-N
MW225.34 g/mol
LogP-1.06
Rot. Bonds

About (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene

(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene (PubChem CID 59529661) has the molecular formula C11H23N5 and a molecular weight of 225.34 g/mol. Its IUPAC name is (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene.

Molecular Properties

Compound Name(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
PubChem CID59529661
Molecular FormulaC11H23N5
Molecular Weight225.34 g/mol
Exact Mass225.20
IUPAC Name(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene
SMILESC1=C\NCCNCCNCCNCC\N=C/1
InChIInChI=1S/C11H23N5/c1-2-12-4-6-14-8-10-16-11-9-15-7-5-13-3-1/h1-3,12,14-16H,4-11H2/b2-1-,13-3-
InChIKeyQEHYGLWWICOHRH-IQTQREKJSA-N
XLogP-1.06
TPSA60.48 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 5-1.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 59529660
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Frequently Asked Questions

What is the IUPAC name of (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
The IUPAC name of (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene (CID 59529661) is (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene.
What is the SMILES notation for (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
The canonical SMILES for (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene is C1=C\NCCNCCNCCNCC\N=C/1.
What is the InChIKey of (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
The InChIKey is QEHYGLWWICOHRH-IQTQREKJSA-N. The full InChI is InChI=1S/C11H23N5/c1-2-12-4-6-14-8-10-16-11-9-15-7-5-13-3-1/h1-3,12,14-16H,4-11H2/b2-1-,13-3-.
What are the key properties of (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene?
(15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene has a molecular weight of 225.34 g/mol, XLogP of -1.06, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (15Z)-1,4,7,10,13-pentazacyclohexadeca-13,15-diene is sourced from PubChem (CID 59529661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).