N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine

C19H26N2 — CID 10959275

IUPACN,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine
SMILESCc1cccc(C)c1NCCCNc1c(C)cccc1C
InChIInChI=1S/C19H26N2/c1-14-8-5-9-15(2)18(14)20-12-7-13-21-19-16(3)10-6-11-17(19)4/h5-6,8-11,20-21H,7,12-13H2,1-4H3
InChIKeyMUTOPNNRGLGXRJ-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.83
Rot. Bonds6

About N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine

N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine (PubChem CID 10959275) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine
PubChem CID10959275
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC NameN,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine
SMILESCc1cccc(C)c1NCCCNc1c(C)cccc1C
InChIInChI=1S/C19H26N2/c1-14-8-5-9-15(2)18(14)20-12-7-13-21-19-16(3)10-6-11-17(19)4/h5-6,8-11,20-21H,7,12-13H2,1-4H3
InChIKeyMUTOPNNRGLGXRJ-UHFFFAOYSA-N
XLogP4.83
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.83
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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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine (CID 10959275) is N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine is Cc1cccc(C)c1NCCCNc1c(C)cccc1C.
What is the InChIKey of N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine?
The InChIKey is MUTOPNNRGLGXRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-14-8-5-9-15(2)18(14)20-12-7-13-21-19-16(3)10-6-11-17(19)4/h5-6,8-11,20-21H,7,12-13H2,1-4H3.
What are the key properties of N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine?
N,N'-bis(2,6-dimethylphenyl)propane-1,3-diamine has a molecular weight of 282.43 g/mol, XLogP of 4.83, 6 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)propane-1,3-diamine is sourced from PubChem (CID 10959275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).