1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine

C31H32N2 — CID 11144541

IUPAC1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine
SMILESC=CC(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H32N2/c1-2-31(32(23-27-15-7-3-8-16-27)24-28-17-9-4-10-18-28)33(25-29-19-11-5-12-20-29)26-30-21-13-6-14-22-30/h2-22,31H,1,23-26H2
InChIKeyQSUCFIXKUPBPCN-UHFFFAOYSA-N
MW432.61 g/mol
LogP6.90
Rot. Bonds11

About 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine

1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine (PubChem CID 11144541) has the molecular formula C31H32N2 and a molecular weight of 432.61 g/mol. Its IUPAC name is 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine.

Molecular Properties

Compound Name1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine
PubChem CID11144541
Molecular FormulaC31H32N2
Molecular Weight432.61 g/mol
Exact Mass432.26
IUPAC Name1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine
SMILESC=CC(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C31H32N2/c1-2-31(32(23-27-15-7-3-8-16-27)24-28-17-9-4-10-18-28)33(25-29-19-11-5-12-20-29)26-30-21-13-6-14-22-30/h2-22,31H,1,23-26H2
InChIKeyQSUCFIXKUPBPCN-UHFFFAOYSA-N
XLogP6.90
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 56.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine?
The IUPAC name of 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine (CID 11144541) is 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine.
What is the SMILES notation for 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine?
The canonical SMILES for 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine is C=CC(N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine?
The InChIKey is QSUCFIXKUPBPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32N2/c1-2-31(32(23-27-15-7-3-8-16-27)24-28-17-9-4-10-18-28)33(25-29-19-11-5-12-20-29)26-30-21-13-6-14-22-30/h2-22,31H,1,23-26H2.
What are the key properties of 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine?
1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine has a molecular weight of 432.61 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,1-N,1-N',1-N'-tetrabenzylprop-2-ene-1,1-diamine is sourced from PubChem (CID 11144541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).