3-methyl-1,4,7,10-tetrazacyclotridecane

C10H24N4 — CID 134246892

IUPAC3-methyl-1,4,7,10-tetrazacyclotridecane
SMILESCC1CNCCCNCCNCCN1
InChIInChI=1S/C10H24N4/c1-10-9-13-4-2-3-11-5-6-12-7-8-14-10/h10-14H,2-9H2,1H3
InChIKeyLUWXUZOUEIGWRY-UHFFFAOYSA-N
MW200.33 g/mol
LogP-0.86
Rot. Bonds

About 3-methyl-1,4,7,10-tetrazacyclotridecane

3-methyl-1,4,7,10-tetrazacyclotridecane (PubChem CID 134246892) has the molecular formula C10H24N4 and a molecular weight of 200.33 g/mol. Its IUPAC name is 3-methyl-1,4,7,10-tetrazacyclotridecane.

Molecular Properties

Compound Name3-methyl-1,4,7,10-tetrazacyclotridecane
PubChem CID134246892
Molecular FormulaC10H24N4
Molecular Weight200.33 g/mol
Exact Mass200.20
IUPAC Name3-methyl-1,4,7,10-tetrazacyclotridecane
SMILESCC1CNCCCNCCNCCN1
InChIInChI=1S/C10H24N4/c1-10-9-13-4-2-3-11-5-6-12-7-8-14-10/h10-14H,2-9H2,1H3
InChIKeyLUWXUZOUEIGWRY-UHFFFAOYSA-N
XLogP-0.86
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

trans-(2S,8S)-2,8-dimethyl-1,4,7,10,13-pentazacyclopentadecane
CID 14942559
2-methylpiperazine;hydrate
CID 141084178
2,5-dimethyl-1,4,7-triazonane
CID 66663266
(2S,5R,8S,11S)-2,5,8,11-tetramethyl-1,4,7,10,13-pentazacyclopentadecane
CID 70323374
azane;2-methylpiperazine;dihydrochloride
CID 174255785
2-methylpiperazine;molecular hydrogen
CID 143777491
ethane;2-methylpiperazine;propane
CID 171563379
cis-(2S,6R)-2,6-dimethyl-1,4,7,10,13-pentazacyclopentadecane;dichloromanganese
CID 59936314
2-methylpiperazine;oxalic acid
CID 67824953
(1R,4S,12S,15R)-4,12-dimethyl-2,5,8,11,14-pentazabicyclo[13.4.0]nonadecane
CID 59936349
zinc;2-methylpiperazine;diacetate
CID 174549530
2-methyl-1,5,9-triazacyclododecane
CID 22113611

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1,4,7,10-tetrazacyclotridecane?
The IUPAC name of 3-methyl-1,4,7,10-tetrazacyclotridecane (CID 134246892) is 3-methyl-1,4,7,10-tetrazacyclotridecane.
What is the SMILES notation for 3-methyl-1,4,7,10-tetrazacyclotridecane?
The canonical SMILES for 3-methyl-1,4,7,10-tetrazacyclotridecane is CC1CNCCCNCCNCCN1.
What is the InChIKey of 3-methyl-1,4,7,10-tetrazacyclotridecane?
The InChIKey is LUWXUZOUEIGWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N4/c1-10-9-13-4-2-3-11-5-6-12-7-8-14-10/h10-14H,2-9H2,1H3.
What are the key properties of 3-methyl-1,4,7,10-tetrazacyclotridecane?
3-methyl-1,4,7,10-tetrazacyclotridecane has a molecular weight of 200.33 g/mol, XLogP of -0.86, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1,4,7,10-tetrazacyclotridecane is sourced from PubChem (CID 134246892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).