N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine

C14H24N2 — CID 115195974

IUPACN-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCNCCNCCc1c(C)cc(C)cc1C
InChIInChI=1S/C14H24N2/c1-11-9-12(2)14(13(3)10-11)5-6-16-8-7-15-4/h9-10,15-16H,5-8H2,1-4H3
InChIKeyGYDLQIKCBLYGPA-UHFFFAOYSA-N
MW220.36 g/mol
LogP1.96
Rot. Bonds6

About N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine

N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine (PubChem CID 115195974) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine
PubChem CID115195974
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine
SMILESCNCCNCCc1c(C)cc(C)cc1C
InChIInChI=1S/C14H24N2/c1-11-9-12(2)14(13(3)10-11)5-6-16-8-7-15-4/h9-10,15-16H,5-8H2,1-4H3
InChIKeyGYDLQIKCBLYGPA-UHFFFAOYSA-N
XLogP1.96
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 51.96
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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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine?
The IUPAC name of N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine (CID 115195974) is N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine.
What is the SMILES notation for N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine?
The canonical SMILES for N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine is CNCCNCCc1c(C)cc(C)cc1C.
What is the InChIKey of N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine?
The InChIKey is GYDLQIKCBLYGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-9-12(2)14(13(3)10-11)5-6-16-8-7-15-4/h9-10,15-16H,5-8H2,1-4H3.
What are the key properties of N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine?
N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine has a molecular weight of 220.36 g/mol, XLogP of 1.96, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-[2-(2,4,6-trimethylphenyl)ethyl]ethane-1,2-diamine is sourced from PubChem (CID 115195974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).