1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane

C16H36N4 — CID 118545612

IUPAC1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
SMILESCCN1CCN(C)CCN(C)CCN(CC(C)C)CC1
InChIInChI=1S/C16H36N4/c1-6-19-11-9-17(4)7-8-18(5)10-12-20(14-13-19)15-16(2)3/h16H,6-15H2,1-5H3
InChIKeyLLIZTLWZPRBOTN-UHFFFAOYSA-N
MW284.49 g/mol
LogP1.14
Rot. Bonds3

About 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane

1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane (PubChem CID 118545612) has the molecular formula C16H36N4 and a molecular weight of 284.49 g/mol. Its IUPAC name is 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane.

Molecular Properties

Compound Name1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
PubChem CID118545612
Molecular FormulaC16H36N4
Molecular Weight284.49 g/mol
Exact Mass284.29
IUPAC Name1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane
SMILESCCN1CCN(C)CCN(C)CCN(CC(C)C)CC1
InChIInChI=1S/C16H36N4/c1-6-19-11-9-17(4)7-8-18(5)10-12-20(14-13-19)15-16(2)3/h16H,6-15H2,1-5H3
InChIKeyLLIZTLWZPRBOTN-UHFFFAOYSA-N
XLogP1.14
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-4-(2-methylpropyl)piperazine;1-methyl-4-(2-methylpropyl)piperazine
CID 165044772
1-methyl-4-(2-methylpropyl)piperazine
CID 20562082
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-methyl-4-(2-methylpropyl)-1,4-diazepane
CID 58719890
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774
ethane;1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 170586549
ethane;1-ethyl-4-methylpiperazine;methanethiol
CID 142272147
1-methyl-4-[(2S)-2-methylbutyl]piperazine
CID 130224614
1-[3-(1-ethylpiperidin-4-yl)propyl]-4-(2-methylpropyl)piperazine
CID 156885442
acetaldehyde;1-ethyl-4-methylpiperazine
CID 143528036
1-(1-ethylazetidin-3-yl)-4-(2-methylpropyl)piperazine
CID 156885108

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane?
The IUPAC name of 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane (CID 118545612) is 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane.
What is the SMILES notation for 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane?
The canonical SMILES for 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane is CCN1CCN(C)CCN(C)CCN(CC(C)C)CC1.
What is the InChIKey of 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane?
The InChIKey is LLIZTLWZPRBOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H36N4/c1-6-19-11-9-17(4)7-8-18(5)10-12-20(14-13-19)15-16(2)3/h16H,6-15H2,1-5H3.
What are the key properties of 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane?
1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane has a molecular weight of 284.49 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,7-dimethyl-10-(2-methylpropyl)-1,4,7,10-tetrazacyclododecane is sourced from PubChem (CID 118545612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).