N,N,N',N'-tetrabenzylpentane-1,5-diamine

C33H38N2 — CID 134925977

IUPACN,N,N',N'-tetrabenzylpentane-1,5-diamine
SMILESc1ccc(CN(CCCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C33H38N2/c1-6-16-30(17-7-1)26-34(27-31-18-8-2-9-19-31)24-14-5-15-25-35(28-32-20-10-3-11-21-32)29-33-22-12-4-13-23-33/h1-4,6-13,16-23H,5,14-15,24-29H2
InChIKeyPTVCUNNIONRWGW-UHFFFAOYSA-N
MW462.68 g/mol
LogP7.56
Rot. Bonds14

About N,N,N',N'-tetrabenzylpentane-1,5-diamine

N,N,N',N'-tetrabenzylpentane-1,5-diamine (PubChem CID 134925977) has the molecular formula C33H38N2 and a molecular weight of 462.68 g/mol. Its IUPAC name is N,N,N',N'-tetrabenzylpentane-1,5-diamine.

Molecular Properties

Compound NameN,N,N',N'-tetrabenzylpentane-1,5-diamine
PubChem CID134925977
Molecular FormulaC33H38N2
Molecular Weight462.68 g/mol
Exact Mass462.30
IUPAC NameN,N,N',N'-tetrabenzylpentane-1,5-diamine
SMILESc1ccc(CN(CCCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1
InChIInChI=1S/C33H38N2/c1-6-16-30(17-7-1)26-34(27-31-18-8-2-9-19-31)24-14-5-15-25-35(28-32-20-10-3-11-21-32)29-33-22-12-4-13-23-33/h1-4,6-13,16-23H,5,14-15,24-29H2
InChIKeyPTVCUNNIONRWGW-UHFFFAOYSA-N
XLogP7.56
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.68
LogP ≤ 57.56
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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Related Compounds

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2-[benzyl(nonyl)amino]ethanol
CID 63469962
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Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrabenzylpentane-1,5-diamine?
The IUPAC name of N,N,N',N'-tetrabenzylpentane-1,5-diamine (CID 134925977) is N,N,N',N'-tetrabenzylpentane-1,5-diamine.
What is the SMILES notation for N,N,N',N'-tetrabenzylpentane-1,5-diamine?
The canonical SMILES for N,N,N',N'-tetrabenzylpentane-1,5-diamine is c1ccc(CN(CCCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1.
What is the InChIKey of N,N,N',N'-tetrabenzylpentane-1,5-diamine?
The InChIKey is PTVCUNNIONRWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H38N2/c1-6-16-30(17-7-1)26-34(27-31-18-8-2-9-19-31)24-14-5-15-25-35(28-32-20-10-3-11-21-32)29-33-22-12-4-13-23-33/h1-4,6-13,16-23H,5,14-15,24-29H2.
What are the key properties of N,N,N',N'-tetrabenzylpentane-1,5-diamine?
N,N,N',N'-tetrabenzylpentane-1,5-diamine has a molecular weight of 462.68 g/mol, XLogP of 7.56, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrabenzylpentane-1,5-diamine is sourced from PubChem (CID 134925977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).