1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone

C11H24N4O — CID 22113787

IUPAC1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone
SMILESCC(=O)C1CNCCNCCN(C)CCN1
InChIInChI=1S/C11H24N4O/c1-10(16)11-9-13-4-3-12-5-7-15(2)8-6-14-11/h11-14H,3-9H2,1-2H3
InChIKeyGHQLOKQODPMCAC-UHFFFAOYSA-N
MW228.34 g/mol
LogP-1.34
Rot. Bonds1

About 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone

1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone (PubChem CID 22113787) has the molecular formula C11H24N4O and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone.

Molecular Properties

Compound Name1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone
PubChem CID22113787
Molecular FormulaC11H24N4O
Molecular Weight228.34 g/mol
Exact Mass228.20
IUPAC Name1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone
SMILESCC(=O)C1CNCCNCCN(C)CCN1
InChIInChI=1S/C11H24N4O/c1-10(16)11-9-13-4-3-12-5-7-15(2)8-6-14-11/h11-14H,3-9H2,1-2H3
InChIKeyGHQLOKQODPMCAC-UHFFFAOYSA-N
XLogP-1.34
TPSA56.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 5-1.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone?
The IUPAC name of 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone (CID 22113787) is 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone.
What is the SMILES notation for 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone?
The canonical SMILES for 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone is CC(=O)C1CNCCNCCN(C)CCN1.
What is the InChIKey of 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone?
The InChIKey is GHQLOKQODPMCAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N4O/c1-10(16)11-9-13-4-3-12-5-7-15(2)8-6-14-11/h11-14H,3-9H2,1-2H3.
What are the key properties of 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone?
1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone has a molecular weight of 228.34 g/mol, XLogP of -1.34, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-methyl-1,4,7,10-tetrazacyclododec-2-yl)ethanone is sourced from PubChem (CID 22113787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).