N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine

C34H32N2 — CID 11155599

IUPACN,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine
SMILESC(C#CCN(Cc1ccccc1)Cc1ccccc1)#CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H32N2/c1(15-25-35(27-31-17-7-3-8-18-31)28-32-19-9-4-10-20-32)2-16-26-36(29-33-21-11-5-12-22-33)30-34-23-13-6-14-24-34/h3-14,17-24H,25-30H2
InChIKeyQUFWGXGZYBOTSE-UHFFFAOYSA-N
MW468.64 g/mol
LogP6.40
Rot. Bonds10

About N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine

N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine (PubChem CID 11155599) has the molecular formula C34H32N2 and a molecular weight of 468.64 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine
PubChem CID11155599
Molecular FormulaC34H32N2
Molecular Weight468.64 g/mol
Exact Mass468.26
IUPAC NameN,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine
SMILESC(C#CCN(Cc1ccccc1)Cc1ccccc1)#CCN(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C34H32N2/c1(15-25-35(27-31-17-7-3-8-18-31)28-32-19-9-4-10-20-32)2-16-26-36(29-33-21-11-5-12-22-33)30-34-23-13-6-14-24-34/h3-14,17-24H,25-30H2
InChIKeyQUFWGXGZYBOTSE-UHFFFAOYSA-N
XLogP6.40
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.64
LogP ≤ 56.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

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N,N-dibenzylpropan-1-amine
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N'-benzyl-N'-(3-phenylprop-2-ynyl)propane-1,3-diamine
CID 107366878
N,N,N',N'-tetrabenzylpentane-1,5-diamine
CID 134925977
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine
CID 5928
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CID 90785154
N-benzyl-2-chloro-N-(2-chloroethyl)ethanamine;hydrochloride
CID 2777881
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N-[[4-[[bis(2-phenylethyl)amino]methyl]phenyl]methyl]-2-phenyl-N-(2-phenylethyl)ethanamine
CID 59482591
N,N-dibenzyl-1-phenylmethanamine;hexane
CID 174855522

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine?
The IUPAC name of N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine (CID 11155599) is N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine.
What is the SMILES notation for N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine?
The canonical SMILES for N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine is C(C#CCN(Cc1ccccc1)Cc1ccccc1)#CCN(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine?
The InChIKey is QUFWGXGZYBOTSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N2/c1(15-25-35(27-31-17-7-3-8-18-31)28-32-19-9-4-10-20-32)2-16-26-36(29-33-21-11-5-12-22-33)30-34-23-13-6-14-24-34/h3-14,17-24H,25-30H2.
What are the key properties of N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine?
N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine has a molecular weight of 468.64 g/mol, XLogP of 6.40, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzylhexa-2,4-diyne-1,6-diamine is sourced from PubChem (CID 11155599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).