N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

C15H27N3 — CID 63695196

IUPACN'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1ccc(C(N)CN(C)CCCN(C)C)cc1
InChIInChI=1S/C15H27N3/c1-13-6-8-14(9-7-13)15(16)12-18(4)11-5-10-17(2)3/h6-9,15H,5,10-12,16H2,1-4H3
InChIKeyGDRUCXYNISZRDW-UHFFFAOYSA-N
MW249.40 g/mol
LogP1.88
Rot. Bonds7

About N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine

N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (PubChem CID 63695196) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
PubChem CID63695196
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine
SMILESCc1ccc(C(N)CN(C)CCCN(C)C)cc1
InChIInChI=1S/C15H27N3/c1-13-6-8-14(9-7-13)15(16)12-18(4)11-5-10-17(2)3/h6-9,15H,5,10-12,16H2,1-4H3
InChIKeyGDRUCXYNISZRDW-UHFFFAOYSA-N
XLogP1.88
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-methyl-1-(4-methylphenyl)-N'-(2-methylsulfanylethyl)ethane-1,2-diamine
CID 106313125
N'-methyl-1-(4-methylphenyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 60892131
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992533
N'-methyl-N'-(3-methylbutyl)-1-(4-methylphenyl)propane-1,3-diamine
CID 62619830
N'-butyl-N'-methyl-1-(4-propylphenyl)ethane-1,2-diamine
CID 43105672
2-[2-(dimethylamino)ethyl-methylamino]-1-(4-methylphenyl)ethanol
CID 63701341
1-(3,4-dimethylphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294808
N'-[(2S)-2-amino-2-phenylethyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 112737155
N'-[(2-chlorophenyl)methyl]-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 106313039
1-(4-ethoxyphenyl)-N'-methyl-N'-pentylethane-1,2-diamine
CID 43294826
N'-[2-(dimethylamino)ethyl]-1-(2-methoxy-5-methylphenyl)-N'-methylethane-1,2-diamine
CID 63693966
N'-(3,3-dimethylbutan-2-yl)-N'-methyl-1-(4-methylphenyl)ethane-1,2-diamine
CID 55011123

Frequently Asked Questions

What is the IUPAC name of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The IUPAC name of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine (CID 63695196) is N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine.
What is the SMILES notation for N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The canonical SMILES for N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is Cc1ccc(C(N)CN(C)CCCN(C)C)cc1.
What is the InChIKey of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
The InChIKey is GDRUCXYNISZRDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-13-6-8-14(9-7-13)15(16)12-18(4)11-5-10-17(2)3/h6-9,15H,5,10-12,16H2,1-4H3.
What are the key properties of N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine?
N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine has a molecular weight of 249.40 g/mol, XLogP of 1.88, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-amino-2-(4-methylphenyl)ethyl]-N,N,N'-trimethylpropane-1,3-diamine is sourced from PubChem (CID 63695196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).