2,2-diphenylcyclohexane-1,1,3,3-tetramine

C18H24N4 — CID 175036223

IUPAC2,2-diphenylcyclohexane-1,1,3,3-tetramine
SMILESNC1(N)CCCC(N)(N)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N4/c19-16(20)12-7-13-17(21,22)18(16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,19-22H2
InChIKeyVOTQSJKOEWBUAW-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.38
Rot. Bonds2

About 2,2-diphenylcyclohexane-1,1,3,3-tetramine

2,2-diphenylcyclohexane-1,1,3,3-tetramine (PubChem CID 175036223) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2,2-diphenylcyclohexane-1,1,3,3-tetramine.

Molecular Properties

Compound Name2,2-diphenylcyclohexane-1,1,3,3-tetramine
PubChem CID175036223
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name2,2-diphenylcyclohexane-1,1,3,3-tetramine
SMILESNC1(N)CCCC(N)(N)C1(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H24N4/c19-16(20)12-7-13-17(21,22)18(16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,19-22H2
InChIKeyVOTQSJKOEWBUAW-UHFFFAOYSA-N
XLogP1.38
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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 2,2-diphenylcyclohexane-1,1,3,3-tetramine?
The IUPAC name of 2,2-diphenylcyclohexane-1,1,3,3-tetramine (CID 175036223) is 2,2-diphenylcyclohexane-1,1,3,3-tetramine.
What is the SMILES notation for 2,2-diphenylcyclohexane-1,1,3,3-tetramine?
The canonical SMILES for 2,2-diphenylcyclohexane-1,1,3,3-tetramine is NC1(N)CCCC(N)(N)C1(c1ccccc1)c1ccccc1.
What is the InChIKey of 2,2-diphenylcyclohexane-1,1,3,3-tetramine?
The InChIKey is VOTQSJKOEWBUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c19-16(20)12-7-13-17(21,22)18(16,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11H,7,12-13,19-22H2.
What are the key properties of 2,2-diphenylcyclohexane-1,1,3,3-tetramine?
2,2-diphenylcyclohexane-1,1,3,3-tetramine has a molecular weight of 296.42 g/mol, XLogP of 1.38, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diphenylcyclohexane-1,1,3,3-tetramine is sourced from PubChem (CID 175036223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).