1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane

C22H50N6 — CID 157390684

IUPAC1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
SMILESCC(C)N1CCN(C)CCN(C)CC1.CC(C)N1CCN(C)CCN(C)CC1
InChIInChI=1S/2C11H25N3/c2*1-11(2)14-9-7-12(3)5-6-13(4)8-10-14/h2*11H,5-10H2,1-4H3
InChIKeyBLYSMJFRGSPCJQ-UHFFFAOYSA-N
MW398.68 g/mol
LogP1.15
Rot. Bonds2

About 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane

1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane (PubChem CID 157390684) has the molecular formula C22H50N6 and a molecular weight of 398.68 g/mol. Its IUPAC name is 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane.

Molecular Properties

Compound Name1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
PubChem CID157390684
Molecular FormulaC22H50N6
Molecular Weight398.68 g/mol
Exact Mass398.41
IUPAC Name1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
SMILESCC(C)N1CCN(C)CCN(C)CC1.CC(C)N1CCN(C)CCN(C)CC1
InChIInChI=1S/2C11H25N3/c2*1-11(2)14-9-7-12(3)5-6-13(4)8-10-14/h2*11H,5-10H2,1-4H3
InChIKeyBLYSMJFRGSPCJQ-UHFFFAOYSA-N
XLogP1.15
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.68
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-4-propan-2-ylpiperazine
CID 7471963
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 158395030
1-methyl-4-[1-(1-propan-2-ylpiperidin-4-yl)ethyl]piperazine
CID 170629653
1-methyl-4-propan-2-ylpiperazine;3-methyl-1-propan-2-ylpyrrolidine
CID 170616803
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
4-ethenyl-1-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine
CID 170617106
1,4-dimethylpiperazine;2-methylpropanal;1-propan-2-ylpyrrolidine
CID 166458931
1-methyl-7-propan-2-yl-1,4,7,10-tetrazacyclododecane
CID 145053856

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
The IUPAC name of 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane (CID 157390684) is 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane.
What is the SMILES notation for 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
The canonical SMILES for 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane is CC(C)N1CCN(C)CCN(C)CC1.CC(C)N1CCN(C)CCN(C)CC1.
What is the InChIKey of 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
The InChIKey is BLYSMJFRGSPCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H25N3/c2*1-11(2)14-9-7-12(3)5-6-13(4)8-10-14/h2*11H,5-10H2,1-4H3.
What are the key properties of 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane has a molecular weight of 398.68 g/mol, XLogP of 1.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane is sourced from PubChem (CID 157390684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).