N,N,N',N'-tetrabenzylhexane-1,6-diamine

C34H40N2 — CID 15520742

IUPACN,N,N',N'-tetrabenzylhexane-1,6-diamine
SMILESc1ccc(CN(CCCCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C34H40N2/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,1-2,15-16,25-30H2
InChIKeyRYXKXMKXLSJMKU-UHFFFAOYSA-N
MW476.71 g/mol
LogP7.95
Rot. Bonds15

About N,N,N',N'-tetrabenzylhexane-1,6-diamine

N,N,N',N'-tetrabenzylhexane-1,6-diamine (PubChem CID 15520742) has the molecular formula C34H40N2 and a molecular weight of 476.71 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzylhexane-1,6-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzylhexane-1,6-diamine
PubChem CID15520742
Molecular FormulaC34H40N2
Molecular Weight476.71 g/mol
Exact Mass476.32
IUPAC NameN,N,N',N'-tetrabenzylhexane-1,6-diamine
SMILESc1ccc(CN(CCCCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C34H40N2/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,1-2,15-16,25-30H2
InChIKeyRYXKXMKXLSJMKU-UHFFFAOYSA-N
XLogP7.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.71
LogP ≤ 57.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzylhexane-1,6-diamine?
The IUPAC name of N,N,N',N'-tetrabenzylhexane-1,6-diamine (CID 15520742) is N,N,N',N'-tetrabenzylhexane-1,6-diamine.
What is the SMILES notation for N,N,N',N'-tetrabenzylhexane-1,6-diamine?
The canonical SMILES for N,N,N',N'-tetrabenzylhexane-1,6-diamine is c1ccc(CN(CCCCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N,N',N'-tetrabenzylhexane-1,6-diamine?
The InChIKey is RYXKXMKXLSJMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N2/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,1-2,15-16,25-30H2.
What are the key properties of N,N,N',N'-tetrabenzylhexane-1,6-diamine?
N,N,N',N'-tetrabenzylhexane-1,6-diamine has a molecular weight of 476.71 g/mol, XLogP of 7.95, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzylhexane-1,6-diamine is sourced from PubChem (CID 15520742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).