N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine

C38H48N2O2 — CID 57390889

IUPACN,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine
SMILESc1ccc(COc2ccc(CNCCCCCCCCCCNCc3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H48N2O2/c1(3-5-13-27-39-29-33-19-23-37(24-20-33)41-31-35-15-9-7-10-16-35)2-4-6-14-28-40-30-34-21-25-38(26-22-34)42-32-36-17-11-8-12-18-36/h7-12,15-26,39-40H,1-6,13-14,27-32H2
InChIKeyFLFYOVZBXIRXQE-UHFFFAOYSA-N
MW564.81 g/mol
LogP8.84
Rot. Bonds21

About N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine

N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine (PubChem CID 57390889) has the molecular formula C38H48N2O2 and a molecular weight of 564.81 g/mol. Its IUPAC name is N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine.

Molecular Properties

Compound NameN,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine
PubChem CID57390889
Molecular FormulaC38H48N2O2
Molecular Weight564.81 g/mol
Exact Mass564.37
IUPAC NameN,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine
SMILESc1ccc(COc2ccc(CNCCCCCCCCCCNCc3ccc(OCc4ccccc4)cc3)cc2)cc1
InChIInChI=1S/C38H48N2O2/c1(3-5-13-27-39-29-33-19-23-37(24-20-33)41-31-35-15-9-7-10-16-35)2-4-6-14-28-40-30-34-21-25-38(26-22-34)42-32-36-17-11-8-12-18-36/h7-12,15-26,39-40H,1-6,13-14,27-32H2
InChIKeyFLFYOVZBXIRXQE-UHFFFAOYSA-N
XLogP8.84
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.81
LogP ≤ 58.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine?
The IUPAC name of N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine (CID 57390889) is N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine.
What is the SMILES notation for N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine?
The canonical SMILES for N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine is c1ccc(COc2ccc(CNCCCCCCCCCCNCc3ccc(OCc4ccccc4)cc3)cc2)cc1.
What is the InChIKey of N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine?
The InChIKey is FLFYOVZBXIRXQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H48N2O2/c1(3-5-13-27-39-29-33-19-23-37(24-20-33)41-31-35-15-9-7-10-16-35)2-4-6-14-28-40-30-34-21-25-38(26-22-34)42-32-36-17-11-8-12-18-36/h7-12,15-26,39-40H,1-6,13-14,27-32H2.
What are the key properties of N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine?
N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine has a molecular weight of 564.81 g/mol, XLogP of 8.84, 21 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis[(4-phenylmethoxyphenyl)methyl]decane-1,10-diamine is sourced from PubChem (CID 57390889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).