2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol

C14H30N4O — CID 11011073

IUPAC2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CCNCCNCCNCC1
InChIInChI=1S/C14H30N4O/c19-14-4-2-1-3-13(14)18-11-9-16-7-5-15-6-8-17-10-12-18/h13-17,19H,1-12H2
InChIKeyCKOAICAMEYFWNM-UHFFFAOYSA-N
MW270.42 g/mol
LogP-0.63
Rot. Bonds1

About 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol

2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol (PubChem CID 11011073) has the molecular formula C14H30N4O and a molecular weight of 270.42 g/mol. Its IUPAC name is 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol
PubChem CID11011073
Molecular FormulaC14H30N4O
Molecular Weight270.42 g/mol
Exact Mass270.24
IUPAC Name2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol
SMILESOC1CCCCC1N1CCNCCNCCNCC1
InChIInChI=1S/C14H30N4O/c19-14-4-2-1-3-13(14)18-11-9-16-7-5-15-6-8-17-10-12-18/h13-17,19H,1-12H2
InChIKeyCKOAICAMEYFWNM-UHFFFAOYSA-N
XLogP-0.63
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.42
LogP ≤ 5-0.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol (CID 11011073) is 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol is OC1CCCCC1N1CCNCCNCCNCC1.
What is the InChIKey of 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
The InChIKey is CKOAICAMEYFWNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4O/c19-14-4-2-1-3-13(14)18-11-9-16-7-5-15-6-8-17-10-12-18/h13-17,19H,1-12H2.
What are the key properties of 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol?
2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol has a molecular weight of 270.42 g/mol, XLogP of -0.63, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4,7,10-tetrazacyclododec-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 11011073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).