N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine

C21H30N2 — CID 22251770

IUPACN,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine
SMILESCc1cccc(C)c1NCCCCCNc1c(C)cccc1C
InChIInChI=1S/C21H30N2/c1-16-10-8-11-17(2)20(16)22-14-6-5-7-15-23-21-18(3)12-9-13-19(21)4/h8-13,22-23H,5-7,14-15H2,1-4H3
InChIKeyGTPPHTFTMMVECZ-UHFFFAOYSA-N
MW310.49 g/mol
LogP5.61
Rot. Bonds8

About N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine

N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine (PubChem CID 22251770) has the molecular formula C21H30N2 and a molecular weight of 310.49 g/mol. Its IUPAC name is N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine.

Molecular Properties

Compound NameN,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine
PubChem CID22251770
Molecular FormulaC21H30N2
Molecular Weight310.49 g/mol
Exact Mass310.24
IUPAC NameN,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine
SMILESCc1cccc(C)c1NCCCCCNc1c(C)cccc1C
InChIInChI=1S/C21H30N2/c1-16-10-8-11-17(2)20(16)22-14-6-5-7-15-23-21-18(3)12-9-13-19(21)4/h8-13,22-23H,5-7,14-15H2,1-4H3
InChIKeyGTPPHTFTMMVECZ-UHFFFAOYSA-N
XLogP5.61
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 ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine?
The IUPAC name of N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine (CID 22251770) is N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine.
What is the SMILES notation for N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine?
The canonical SMILES for N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine is Cc1cccc(C)c1NCCCCCNc1c(C)cccc1C.
What is the InChIKey of N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine?
The InChIKey is GTPPHTFTMMVECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2/c1-16-10-8-11-17(2)20(16)22-14-6-5-7-15-23-21-18(3)12-9-13-19(21)4/h8-13,22-23H,5-7,14-15H2,1-4H3.
What are the key properties of N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine?
N,N'-bis(2,6-dimethylphenyl)pentane-1,5-diamine has a molecular weight of 310.49 g/mol, XLogP of 5.61, 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-dimethylphenyl)pentane-1,5-diamine is sourced from PubChem (CID 22251770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).