1,4,7,10-tetrazacyclododec-10-ene

C8H18N4 — CID 22995386

IUPAC1,4,7,10-tetrazacyclododec-10-ene
SMILESC1=N\CCNCCNCCNC/1
InChIInChI=1S/C8H18N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1,10-12H,2-8H2/b9-1-
InChIKeyNKIJBSVPDYIEAT-OQYWKCLKSA-N
MW170.26 g/mol
LogP-1.16
Rot. Bonds

About 1,4,7,10-tetrazacyclododec-10-ene

1,4,7,10-tetrazacyclododec-10-ene (PubChem CID 22995386) has the molecular formula C8H18N4 and a molecular weight of 170.26 g/mol. Its IUPAC name is 1,4,7,10-tetrazacyclododec-10-ene.

Molecular Properties

Compound Name1,4,7,10-tetrazacyclododec-10-ene
PubChem CID22995386
Molecular FormulaC8H18N4
Molecular Weight170.26 g/mol
Exact Mass170.15
IUPAC Name1,4,7,10-tetrazacyclododec-10-ene
SMILESC1=N\CCNCCNCCNC/1
InChIInChI=1S/C8H18N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1,10-12H,2-8H2/b9-1-
InChIKeyNKIJBSVPDYIEAT-OQYWKCLKSA-N
XLogP-1.16
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.26
LogP ≤ 5-1.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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1,4,8,11-Tetraazacyclotetradeca-4,11-diene
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(8e,10e)-1,4,8,11-Tetraazacyclotetradeca-8,10-diene
CID 90713799
1,4,8,11-Tetraazacyclotetradeca-4,14-diene
CID 71676813
1,4,6,8,11-Pentaazacyclotrideca 11,13-diene
CID 129713130
Methyl-1,4,8,11-tetraazacyclotetradeca-4,11-diene
CID 129818087
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CID 15244611
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CID 22957940

Frequently Asked Questions

What is the IUPAC name of 1,4,7,10-tetrazacyclododec-10-ene?
The IUPAC name of 1,4,7,10-tetrazacyclododec-10-ene (CID 22995386) is 1,4,7,10-tetrazacyclododec-10-ene.
What is the SMILES notation for 1,4,7,10-tetrazacyclododec-10-ene?
The canonical SMILES for 1,4,7,10-tetrazacyclododec-10-ene is C1=N\CCNCCNCCNC/1.
What is the InChIKey of 1,4,7,10-tetrazacyclododec-10-ene?
The InChIKey is NKIJBSVPDYIEAT-OQYWKCLKSA-N. The full InChI is InChI=1S/C8H18N4/c1-2-10-5-6-12-8-7-11-4-3-9-1/h1,10-12H,2-8H2/b9-1-.
What are the key properties of 1,4,7,10-tetrazacyclododec-10-ene?
1,4,7,10-tetrazacyclododec-10-ene has a molecular weight of 170.26 g/mol, XLogP of -1.16, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,7,10-tetrazacyclododec-10-ene is sourced from PubChem (CID 22995386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).