2-methyl-1,5,9-triazacyclododecane

C10H23N3 — CID 22113611

IUPAC2-methyl-1,5,9-triazacyclododecane
SMILESCC1CCNCCCNCCCN1
InChIInChI=1S/C10H23N3/c1-10-4-9-12-6-2-5-11-7-3-8-13-10/h10-13H,2-9H2,1H3
InChIKeyRONKFUZZCBBKCD-UHFFFAOYSA-N
MW185.31 g/mol
LogP0.33
Rot. Bonds

About 2-methyl-1,5,9-triazacyclododecane

2-methyl-1,5,9-triazacyclododecane (PubChem CID 22113611) has the molecular formula C10H23N3 and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-methyl-1,5,9-triazacyclododecane.

Molecular Properties

Compound Name2-methyl-1,5,9-triazacyclododecane
PubChem CID22113611
Molecular FormulaC10H23N3
Molecular Weight185.31 g/mol
Exact Mass185.19
IUPAC Name2-methyl-1,5,9-triazacyclododecane
SMILESCC1CCNCCCNCCCN1
InChIInChI=1S/C10H23N3/c1-10-4-9-12-6-2-5-11-7-3-8-13-10/h10-13H,2-9H2,1H3
InChIKeyRONKFUZZCBBKCD-UHFFFAOYSA-N
XLogP0.33
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

trans-(5R,12R)-5,12-dimethyl-1,4,8,11-tetrazacyclotetradecane
CID 95242676
5-methyl-1,4-diazepane;dihydrochloride
CID 75530243
2-methylpyrrolidine
CID 142041388
2-methylpyrrolidine
CID 13003
2-(1,5,9-triazacyclododec-2-yl)-1,5,9,13-tetrazacyclohexadecane
CID 139317995
2-methylpiperidine
CID 7974
methane;2-methylpiperidine
CID 159247179
(2S)-2-methylpiperidine;(2S)-2-methylpyrrolidine
CID 164977059
(2R)-2-methylazonane
CID 89251055
(2S)-2-methylazocane
CID 137404038
3-methyl-1,4,7,10-tetrazacyclotridecane
CID 134246892
(1R,11R,16R,26R)-2,6,10,17,21,25-hexazatricyclo[24.4.0.011,16]triacontane
CID 12014113

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,5,9-triazacyclododecane?
The IUPAC name of 2-methyl-1,5,9-triazacyclododecane (CID 22113611) is 2-methyl-1,5,9-triazacyclododecane.
What is the SMILES notation for 2-methyl-1,5,9-triazacyclododecane?
The canonical SMILES for 2-methyl-1,5,9-triazacyclododecane is CC1CCNCCCNCCCN1.
What is the InChIKey of 2-methyl-1,5,9-triazacyclododecane?
The InChIKey is RONKFUZZCBBKCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N3/c1-10-4-9-12-6-2-5-11-7-3-8-13-10/h10-13H,2-9H2,1H3.
What are the key properties of 2-methyl-1,5,9-triazacyclododecane?
2-methyl-1,5,9-triazacyclododecane has a molecular weight of 185.31 g/mol, XLogP of 0.33, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,5,9-triazacyclododecane is sourced from PubChem (CID 22113611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).