N-benzyl-N'-tritylbutane-1,4-diamine

C30H32N2 — CID 11037211

IUPACN-benzyl-N'-tritylbutane-1,4-diamine
SMILESc1ccc(CNCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2/c1-5-15-26(16-6-1)25-31-23-13-14-24-32-30(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22,31-32H,13-14,23-25H2
InChIKeyFGZZEDTZCPFBDZ-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.14
Rot. Bonds11

About N-benzyl-N'-tritylbutane-1,4-diamine

N-benzyl-N'-tritylbutane-1,4-diamine (PubChem CID 11037211) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N-benzyl-N'-tritylbutane-1,4-diamine.

Molecular Properties

Compound NameN-benzyl-N'-tritylbutane-1,4-diamine
PubChem CID11037211
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC NameN-benzyl-N'-tritylbutane-1,4-diamine
SMILESc1ccc(CNCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C30H32N2/c1-5-15-26(16-6-1)25-31-23-13-14-24-32-30(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22,31-32H,13-14,23-25H2
InChIKeyFGZZEDTZCPFBDZ-UHFFFAOYSA-N
XLogP6.14
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.60
LogP ≤ 56.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-benzyl-N-[3-(tritylamino)propyl]butane-1,4-diamine
CID 101096515
N'-trityl-N-[4-[7-(tritylamino)heptylamino]butyl]heptane-1,7-diamine
CID 101358103
N,N'-dibenzylhexane-1,6-diamine;dihydrobromide
CID 131880779
N-[(4-bromophenyl)methyl]-N'-tritylethane-1,2-diamine
CID 171637668
N,N'-bis[5-(benzylamino)pentyl]hexane-1,6-diamine;tetrahydrochloride
CID 72715173
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
4-(benzylamino)butane-1-selenol
CID 175343698
N-benzyl-12-chlorododecan-1-amine
CID 175007443
N'-benzyldodecane-1,12-diamine
CID 10589617
N'-benzylheptane-1,7-diamine
CID 61150072
N-benzyl-5-silylpentan-1-amine
CID 123625500
N-benzyl-4-cyclopropylbutan-1-amine
CID 165438994

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N'-tritylbutane-1,4-diamine?
The IUPAC name of N-benzyl-N'-tritylbutane-1,4-diamine (CID 11037211) is N-benzyl-N'-tritylbutane-1,4-diamine.
What is the SMILES notation for N-benzyl-N'-tritylbutane-1,4-diamine?
The canonical SMILES for N-benzyl-N'-tritylbutane-1,4-diamine is c1ccc(CNCCCCNC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of N-benzyl-N'-tritylbutane-1,4-diamine?
The InChIKey is FGZZEDTZCPFBDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-5-15-26(16-6-1)25-31-23-13-14-24-32-30(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29/h1-12,15-22,31-32H,13-14,23-25H2.
What are the key properties of N-benzyl-N'-tritylbutane-1,4-diamine?
N-benzyl-N'-tritylbutane-1,4-diamine has a molecular weight of 420.60 g/mol, XLogP of 6.14, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N'-tritylbutane-1,4-diamine is sourced from PubChem (CID 11037211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).