1,5,9,13,17-pentazacycloicosane

C15H35N5 — CID 20533697

IUPAC1,5,9,13,17-pentazacycloicosane
SMILESC1CNCCCNCCCNCCCNCCCNC1
InChIInChI=1S/C15H35N5/c1-6-16-8-2-10-18-12-4-14-20-15-5-13-19-11-3-9-17-7-1/h16-20H,1-15H2
InChIKeyBXJWRMPXLOFMHI-UHFFFAOYSA-N
MW285.48 g/mol
LogP-0.10
Rot. Bonds

About 1,5,9,13,17-pentazacycloicosane

1,5,9,13,17-pentazacycloicosane (PubChem CID 20533697) has the molecular formula C15H35N5 and a molecular weight of 285.48 g/mol. Its IUPAC name is 1,5,9,13,17-pentazacycloicosane.

Molecular Properties

Compound Name1,5,9,13,17-pentazacycloicosane
PubChem CID20533697
Molecular FormulaC15H35N5
Molecular Weight285.48 g/mol
Exact Mass285.29
IUPAC Name1,5,9,13,17-pentazacycloicosane
SMILESC1CNCCCNCCCNCCCNCCCNC1
InChIInChI=1S/C15H35N5/c1-6-16-8-2-10-18-12-4-14-20-15-5-13-19-11-3-9-17-7-1/h16-20H,1-15H2
InChIKeyBXJWRMPXLOFMHI-UHFFFAOYSA-N
XLogP-0.10
TPSA60.15 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.48
LogP ≤ 5-0.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

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1,4,7,10-tetrazacyclotridecane
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1,5,9-triazacyclododecane;hydrobromide
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1,4,8,11-tetrazacyclotetradecane;1,4,7-triazonane
CID 159801771
cobalt;1,4,8,11-tetrazacyclotetradecane
CID 67843404
1,4-diazepane;hydrobromide
CID 141400747
1,5,9,14,18,22-hexazacyclohexacosane;hexahydrochloride
CID 71676783
1,4-diazepane;dihydrochloride
CID 23441047
bis(1,5-diazocane);nickel(2+);dibromide
CID 139057997
copper 1,4,8,11-tetrazacyclotetradecane
CID 11966228
ruthenium(2+);1,4,8,11-tetrazacyclotetradecane;dichloride
CID 173279674
manganese(2+);bis(1,4,7,10,14-pentazacycloheptadecane);dichloride
CID 67604372

Frequently Asked Questions

What is the IUPAC name of 1,5,9,13,17-pentazacycloicosane?
The IUPAC name of 1,5,9,13,17-pentazacycloicosane (CID 20533697) is 1,5,9,13,17-pentazacycloicosane.
What is the SMILES notation for 1,5,9,13,17-pentazacycloicosane?
The canonical SMILES for 1,5,9,13,17-pentazacycloicosane is C1CNCCCNCCCNCCCNCCCNC1.
What is the InChIKey of 1,5,9,13,17-pentazacycloicosane?
The InChIKey is BXJWRMPXLOFMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N5/c1-6-16-8-2-10-18-12-4-14-20-15-5-13-19-11-3-9-17-7-1/h16-20H,1-15H2.
What are the key properties of 1,5,9,13,17-pentazacycloicosane?
1,5,9,13,17-pentazacycloicosane has a molecular weight of 285.48 g/mol, XLogP of -0.10, 0 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,9,13,17-pentazacycloicosane is sourced from PubChem (CID 20533697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).