N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine

C30H32N2 — CID 10273675

IUPACN,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
SMILESc1ccc(-c2ccc(CNCCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H32N2/c1-3-9-27(10-4-1)29-17-13-25(14-18-29)23-31-21-7-8-22-32-24-26-15-19-30(20-16-26)28-11-5-2-6-12-28/h1-6,9-20,31-32H,7-8,21-24H2
InChIKeyNNRISAGCMQVDEG-UHFFFAOYSA-N
MW420.60 g/mol
LogP6.68
Rot. Bonds11

About N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine

N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine (PubChem CID 10273675) has the molecular formula C30H32N2 and a molecular weight of 420.60 g/mol. Its IUPAC name is N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine.

Molecular Properties

Compound NameN,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
PubChem CID10273675
Molecular FormulaC30H32N2
Molecular Weight420.60 g/mol
Exact Mass420.26
IUPAC NameN,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine
SMILESc1ccc(-c2ccc(CNCCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C30H32N2/c1-3-9-27(10-4-1)29-17-13-25(14-18-29)23-31-21-7-8-22-32-24-26-15-19-30(20-16-26)28-11-5-2-6-12-28/h1-6,9-20,31-32H,7-8,21-24H2
InChIKeyNNRISAGCMQVDEG-UHFFFAOYSA-N
XLogP6.68
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 ≤ 56.68
H-Bond Donors ≤ 52
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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3-methyl-N-[(4-phenylphenyl)methyl]butan-1-amine;hydrochloride
CID 17206786
N-benzyl-13-[2-[3-(benzylamino)propyl]hydrazinyl]tridecan-1-amine
CID 57123635
4-(benzylamino)butane-1-selenol
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2-ethylsulfonyl-N-[(4-phenylphenyl)methyl]ethanamine
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N'-benzylethane-1,2-diamine;dihydrochloride
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N'-[(2-methoxyphenyl)methyl]-N-[[4-[4-[4-[[6-[(2-methoxyphenyl)methylamino]hexylamino]methyl]phenyl]phenyl]phenyl]methyl]hexane-1,6-diamine
CID 10930604

Frequently Asked Questions

What is the IUPAC name of N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine?
The IUPAC name of N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine (CID 10273675) is N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine.
What is the SMILES notation for N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine?
The canonical SMILES for N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine is c1ccc(-c2ccc(CNCCCCNCc3ccc(-c4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine?
The InChIKey is NNRISAGCMQVDEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2/c1-3-9-27(10-4-1)29-17-13-25(14-18-29)23-31-21-7-8-22-32-24-26-15-19-30(20-16-26)28-11-5-2-6-12-28/h1-6,9-20,31-32H,7-8,21-24H2.
What are the key properties of N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine?
N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine has a molecular weight of 420.60 g/mol, XLogP of 6.68, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-phenylphenyl)methyl]butane-1,4-diamine is sourced from PubChem (CID 10273675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).