N,N'-bis(2,6-diethylphenyl)methanediamine

C21H30N2 — CID 22679027

IUPACN,N'-bis(2,6-diethylphenyl)methanediamine
SMILESCCc1cccc(CC)c1NCNc1c(CC)cccc1CC
InChIInChI=1S/C21H30N2/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4/h9-14,22-23H,5-8,15H2,1-4H3
InChIKeySFVJGQYZZVZUDN-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.42
Rot. Bonds8

About N,N'-bis(2,6-diethylphenyl)methanediamine

N,N'-bis(2,6-diethylphenyl)methanediamine (PubChem CID 22679027) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N,N'-bis(2,6-diethylphenyl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(2,6-diethylphenyl)methanediamine
PubChem CID22679027
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN,N'-bis(2,6-diethylphenyl)methanediamine
SMILESCCc1cccc(CC)c1NCNc1c(CC)cccc1CC
InChIInChI=1S/C21H30N2/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4/h9-14,22-23H,5-8,15H2,1-4H3
InChIKeySFVJGQYZZVZUDN-UHFFFAOYSA-N
XLogP5.42
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500310.49
LogP ≤ 55.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-diethylphenyl)methanediamine?
The IUPAC name of N,N'-bis(2,6-diethylphenyl)methanediamine (CID 22679027) is N,N'-bis(2,6-diethylphenyl)methanediamine.
What is the SMILES notation for N,N'-bis(2,6-diethylphenyl)methanediamine?
The canonical SMILES for N,N'-bis(2,6-diethylphenyl)methanediamine is CCc1cccc(CC)c1NCNc1c(CC)cccc1CC.
What is the InChIKey of N,N'-bis(2,6-diethylphenyl)methanediamine?
The InChIKey is SFVJGQYZZVZUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-5-16-11-9-12-17(6-2)20(16)22-15-23-21-18(7-3)13-10-14-19(21)8-4/h9-14,22-23H,5-8,15H2,1-4H3.
What are the key properties of N,N'-bis(2,6-diethylphenyl)methanediamine?
N,N'-bis(2,6-diethylphenyl)methanediamine has a molecular weight of 310.49 g/mol, XLogP of 5.42, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,6-diethylphenyl)methanediamine is sourced from PubChem (CID 22679027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).