N"-(4-tert-butylphenyl)methanetriamine

C11H19N3 — CID 166823886

IUPACN"-(4-tert-butylphenyl)methanetriamine
SMILESCC(C)(C)c1ccc(NC(N)N)cc1
InChIInChI=1S/C11H19N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7,10,14H,12-13H2,1-3H3
InChIKeyGIYOIGUIYVKJGF-UHFFFAOYSA-N
MW193.29 g/mol
LogP1.60
Rot. Bonds2

About N"-(4-tert-butylphenyl)methanetriamine

N"-(4-tert-butylphenyl)methanetriamine (PubChem CID 166823886) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N"-(4-tert-butylphenyl)methanetriamine.

Molecular Properties

Compound NameN"-(4-tert-butylphenyl)methanetriamine
PubChem CID166823886
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN"-(4-tert-butylphenyl)methanetriamine
SMILESCC(C)(C)c1ccc(NC(N)N)cc1
InChIInChI=1S/C11H19N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7,10,14H,12-13H2,1-3H3
InChIKeyGIYOIGUIYVKJGF-UHFFFAOYSA-N
XLogP1.60
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N"-(4-tert-butylphenyl)methanetriamine?
The IUPAC name of N"-(4-tert-butylphenyl)methanetriamine (CID 166823886) is N"-(4-tert-butylphenyl)methanetriamine.
What is the SMILES notation for N"-(4-tert-butylphenyl)methanetriamine?
The canonical SMILES for N"-(4-tert-butylphenyl)methanetriamine is CC(C)(C)c1ccc(NC(N)N)cc1.
What is the InChIKey of N"-(4-tert-butylphenyl)methanetriamine?
The InChIKey is GIYOIGUIYVKJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-11(2,3)8-4-6-9(7-5-8)14-10(12)13/h4-7,10,14H,12-13H2,1-3H3.
What are the key properties of N"-(4-tert-butylphenyl)methanetriamine?
N"-(4-tert-butylphenyl)methanetriamine has a molecular weight of 193.29 g/mol, XLogP of 1.60, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N"-(4-tert-butylphenyl)methanetriamine is sourced from PubChem (CID 166823886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).