azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine

C23H42N4 — CID 173322817

IUPACazane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine
SMILESCCc1cc(CC)c(N)c(CC)c1N.Cc1ccccc1C(C)(C)C.N.N
InChIInChI=1S/C12H20N2.C11H16.2H3N/c1-4-8-7-9(5-2)12(14)10(6-3)11(8)13;1-9-7-5-6-8-10(9)11(2,3)4;;/h7H,4-6,13-14H2,1-3H3;5-8H,1-4H3;2*1H3
InChIKeyMAMQZTKMNIILQM-UHFFFAOYSA-N
MW374.62 g/mol
LogP6.15
Rot. Bonds3

About azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine

azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine (PubChem CID 173322817) has the molecular formula C23H42N4 and a molecular weight of 374.62 g/mol. Its IUPAC name is azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine.

Molecular Properties

Compound Nameazane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine
PubChem CID173322817
Molecular FormulaC23H42N4
Molecular Weight374.62 g/mol
Exact Mass374.34
IUPAC Nameazane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine
SMILESCCc1cc(CC)c(N)c(CC)c1N.Cc1ccccc1C(C)(C)C.N.N
InChIInChI=1S/C12H20N2.C11H16.2H3N/c1-4-8-7-9(5-2)12(14)10(6-3)11(8)13;1-9-7-5-6-8-10(9)11(2,3)4;;/h7H,4-6,13-14H2,1-3H3;5-8H,1-4H3;2*1H3
InChIKeyMAMQZTKMNIILQM-UHFFFAOYSA-N
XLogP6.15
TPSA122.04 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.62
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine?
The IUPAC name of azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine (CID 173322817) is azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine.
What is the SMILES notation for azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine?
The canonical SMILES for azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine is CCc1cc(CC)c(N)c(CC)c1N.Cc1ccccc1C(C)(C)C.N.N.
What is the InChIKey of azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine?
The InChIKey is MAMQZTKMNIILQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2.C11H16.2H3N/c1-4-8-7-9(5-2)12(14)10(6-3)11(8)13;1-9-7-5-6-8-10(9)11(2,3)4;;/h7H,4-6,13-14H2,1-3H3;5-8H,1-4H3;2*1H3.
What are the key properties of azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine?
azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine has a molecular weight of 374.62 g/mol, XLogP of 6.15, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-tert-butyl-2-methylbenzene;2,4,6-triethylbenzene-1,3-diamine is sourced from PubChem (CID 173322817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).