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

C20H44N4O — CID 10665994

IUPAC1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol
SMILESCCCCCCCCCCC(O)CN1CCNCCNCCNCC1
InChIInChI=1S/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-20(25)19-24-17-15-22-13-11-21-12-14-23-16-18-24/h20-23,25H,2-19H2,1H3
InChIKeyDMOUIPAZDUGMND-UHFFFAOYSA-N
MW356.60 g/mol
LogP1.96
Rot. Bonds11

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

1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol (PubChem CID 10665994) has the molecular formula C20H44N4O and a molecular weight of 356.60 g/mol. Its IUPAC name is 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol.

Molecular Properties

Compound Name1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol
PubChem CID10665994
Molecular FormulaC20H44N4O
Molecular Weight356.60 g/mol
Exact Mass356.35
IUPAC Name1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol
SMILESCCCCCCCCCCC(O)CN1CCNCCNCCNCC1
InChIInChI=1S/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-20(25)19-24-17-15-22-13-11-21-12-14-23-16-18-24/h20-23,25H,2-19H2,1H3
InChIKeyDMOUIPAZDUGMND-UHFFFAOYSA-N
XLogP1.96
TPSA59.56 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.60
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol?
The IUPAC name of 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol (CID 10665994) is 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol.
What is the SMILES notation for 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol?
The canonical SMILES for 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol is CCCCCCCCCCC(O)CN1CCNCCNCCNCC1.
What is the InChIKey of 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol?
The InChIKey is DMOUIPAZDUGMND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H44N4O/c1-2-3-4-5-6-7-8-9-10-20(25)19-24-17-15-22-13-11-21-12-14-23-16-18-24/h20-23,25H,2-19H2,1H3.
What are the key properties of 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol?
1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol has a molecular weight of 356.60 g/mol, XLogP of 1.96, 11 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4,7,10-tetrazacyclododec-1-yl)dodecan-2-ol is sourced from PubChem (CID 10665994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).