N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine

C14H24N2 — CID 115197180

IUPACN'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
SMILESCc1cc(C)c(C)c(CNCCCN)c1C
InChIInChI=1S/C14H24N2/c1-10-8-11(2)13(4)14(12(10)3)9-16-7-5-6-15/h8,16H,5-7,9,15H2,1-4H3
InChIKeyOVTGTAGKBUJTIZ-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.36
Rot. Bonds5

About N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine

N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine (PubChem CID 115197180) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
PubChem CID115197180
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine
SMILESCc1cc(C)c(C)c(CNCCCN)c1C
InChIInChI=1S/C14H24N2/c1-10-8-11(2)13(4)14(12(10)3)9-16-7-5-6-15/h8,16H,5-7,9,15H2,1-4H3
InChIKeyOVTGTAGKBUJTIZ-UHFFFAOYSA-N
XLogP2.36
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.36
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'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
The IUPAC name of N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine (CID 115197180) is N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine.
What is the SMILES notation for N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
The canonical SMILES for N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine is Cc1cc(C)c(C)c(CNCCCN)c1C.
What is the InChIKey of N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
The InChIKey is OVTGTAGKBUJTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-10-8-11(2)13(4)14(12(10)3)9-16-7-5-6-15/h8,16H,5-7,9,15H2,1-4H3.
What are the key properties of N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine?
N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine has a molecular weight of 220.36 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,3,5,6-tetramethylphenyl)methyl]propane-1,3-diamine is sourced from PubChem (CID 115197180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).