2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine

C20H26N2 — CID 518954

IUPAC2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine
SMILESCC1(C)C(Nc2ccccc2)C(C)(C)C1Nc1ccccc1
InChIInChI=1S/C20H26N2/c1-19(2)17(21-15-11-7-5-8-12-15)20(3,4)18(19)22-16-13-9-6-10-14-16/h5-14,17-18,21-22H,1-4H3
InChIKeyQJXQIRIBSXDMJF-UHFFFAOYSA-N
MW294.44 g/mol
LogP5.01
Rot. Bonds4

About 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine

2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine (PubChem CID 518954) has the molecular formula C20H26N2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine.

Molecular Properties

Compound Name2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine
PubChem CID518954
Molecular FormulaC20H26N2
Molecular Weight294.44 g/mol
Exact Mass294.21
IUPAC Name2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine
SMILESCC1(C)C(Nc2ccccc2)C(C)(C)C1Nc1ccccc1
InChIInChI=1S/C20H26N2/c1-19(2)17(21-15-11-7-5-8-12-15)20(3,4)18(19)22-16-13-9-6-10-14-16/h5-14,17-18,21-22H,1-4H3
InChIKeyQJXQIRIBSXDMJF-UHFFFAOYSA-N
XLogP5.01
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.44
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine?
The IUPAC name of 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine (CID 518954) is 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine.
What is the SMILES notation for 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine?
The canonical SMILES for 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine is CC1(C)C(Nc2ccccc2)C(C)(C)C1Nc1ccccc1.
What is the InChIKey of 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine?
The InChIKey is QJXQIRIBSXDMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2/c1-19(2)17(21-15-11-7-5-8-12-15)20(3,4)18(19)22-16-13-9-6-10-14-16/h5-14,17-18,21-22H,1-4H3.
What are the key properties of 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine?
2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine has a molecular weight of 294.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,4,4-tetramethyl-1-N,3-N-diphenylcyclobutane-1,3-diamine is sourced from PubChem (CID 518954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).