N,N,N',N'-tetrabenzylpropane-1,3-diamine

C31H34N2 — CID 15520741

IUPACN,N,N',N'-tetrabenzylpropane-1,3-diamine
SMILESc1ccc(CN(CCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C31H34N2/c1-5-14-28(15-6-1)24-32(25-29-16-7-2-8-17-29)22-13-23-33(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKeyGSHHEGOFSGETIF-UHFFFAOYSA-N
MW434.63 g/mol
LogP6.78
Rot. Bonds12

About N,N,N',N'-tetrabenzylpropane-1,3-diamine

N,N,N',N'-tetrabenzylpropane-1,3-diamine (PubChem CID 15520741) has the molecular formula C31H34N2 and a molecular weight of 434.63 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzylpropane-1,3-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzylpropane-1,3-diamine
PubChem CID15520741
Molecular FormulaC31H34N2
Molecular Weight434.63 g/mol
Exact Mass434.27
IUPAC NameN,N,N',N'-tetrabenzylpropane-1,3-diamine
SMILESc1ccc(CN(CCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C31H34N2/c1-5-14-28(15-6-1)24-32(25-29-16-7-2-8-17-29)22-13-23-33(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2
InChIKeyGSHHEGOFSGETIF-UHFFFAOYSA-N
XLogP6.78
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.63
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzylpropane-1,3-diamine?
The IUPAC name of N,N,N',N'-tetrabenzylpropane-1,3-diamine (CID 15520741) is N,N,N',N'-tetrabenzylpropane-1,3-diamine.
What is the SMILES notation for N,N,N',N'-tetrabenzylpropane-1,3-diamine?
The canonical SMILES for N,N,N',N'-tetrabenzylpropane-1,3-diamine is c1ccc(CN(CCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N,N',N'-tetrabenzylpropane-1,3-diamine?
The InChIKey is GSHHEGOFSGETIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N2/c1-5-14-28(15-6-1)24-32(25-29-16-7-2-8-17-29)22-13-23-33(26-30-18-9-3-10-19-30)27-31-20-11-4-12-21-31/h1-12,14-21H,13,22-27H2.
What are the key properties of N,N,N',N'-tetrabenzylpropane-1,3-diamine?
N,N,N',N'-tetrabenzylpropane-1,3-diamine has a molecular weight of 434.63 g/mol, XLogP of 6.78, 12 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzylpropane-1,3-diamine is sourced from PubChem (CID 15520741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).