1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane

C23H52N6 — CID 158395030

IUPAC1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
SMILESCC(C)N1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H27N3.C11H25N3/c1-12(2,3)15-10-8-13(4)6-7-14(5)9-11-15;1-11(2)14-9-7-12(3)5-6-13(4)8-10-14/h6-11H2,1-5H3;11H,5-10H2,1-4H3
InChIKeyGXLDWSGJYCGXLF-UHFFFAOYSA-N
MW412.71 g/mol
LogP1.54
Rot. Bonds1

About 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane

1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane (PubChem CID 158395030) has the molecular formula C23H52N6 and a molecular weight of 412.71 g/mol. Its IUPAC name is 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane.

Molecular Properties

Compound Name1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
PubChem CID158395030
Molecular FormulaC23H52N6
Molecular Weight412.71 g/mol
Exact Mass412.43
IUPAC Name1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
SMILESCC(C)N1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C(C)(C)C)CC1
InChIInChI=1S/C12H27N3.C11H25N3/c1-12(2,3)15-10-8-13(4)6-7-14(5)9-11-15;1-11(2)14-9-7-12(3)5-6-13(4)8-10-14/h6-11H2,1-5H3;11H,5-10H2,1-4H3
InChIKeyGXLDWSGJYCGXLF-UHFFFAOYSA-N
XLogP1.54
TPSA19.44 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.71
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-4-methyl-1,4-diazepane;1-tert-butyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 161180929
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1-tert-butyl-4,7,10-trimethyl-1,4,7,10-tetrazacyclododecane;methane;zinc
CID 162271168
formaldehyde;1-methyl-4-propan-2-ylpiperazine
CID 157498732
1-tert-butyl-4-methylpiperazine;propane
CID 159466011
argon;1-tert-butyl-4,4-dimethylpiperidine;1-tert-butyl-4-methylpiperazine;carbanide;ethane;methane;1-propan-2-ylpyrrolidine;nonakis(yttrium)
CID 163640351
1-tert-butyl-4-methylpiperazine;1-tert-butylpiperidine
CID 156749865
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
1-tert-butyl-2,2,3,3-tetradeuterio-4-propan-2-ylpiperazine
CID 177304576
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
1-tert-butyl-4-[4-methyl-4-(1-methylpiperidin-4-yl)pentan-2-yl]piperazine
CID 129100137

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
The IUPAC name of 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane (CID 158395030) is 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane.
What is the SMILES notation for 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
The canonical SMILES for 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane is CC(C)N1CCN(C)CCN(C)CC1.CN1CCN(C)CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
The InChIKey is GXLDWSGJYCGXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3.C11H25N3/c1-12(2,3)15-10-8-13(4)6-7-14(5)9-11-15;1-11(2)14-9-7-12(3)5-6-13(4)8-10-14/h6-11H2,1-5H3;11H,5-10H2,1-4H3.
What are the key properties of 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane?
1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane has a molecular weight of 412.71 g/mol, XLogP of 1.54, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4,7-dimethyl-1,4,7-triazonane;1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane is sourced from PubChem (CID 158395030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).