N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

C15H26N2 — CID 115251540

IUPACN'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1cc(C)ccc1C
InChIInChI=1S/C15H26N2/c1-5-14(9-16)10-17(4)11-15-8-12(2)6-7-13(15)3/h6-8,14H,5,9-11,16H2,1-4H3
InChIKeyUXYIHRPWHXXZPB-UHFFFAOYSA-N
MW234.39 g/mol
LogP2.72
Rot. Bonds6

About N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine

N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (PubChem CID 115251540) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
PubChem CID115251540
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC NameN'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
SMILESCCC(CN)CN(C)Cc1cc(C)ccc1C
InChIInChI=1S/C15H26N2/c1-5-14(9-16)10-17(4)11-15-8-12(2)6-7-13(15)3/h6-8,14H,5,9-11,16H2,1-4H3
InChIKeyUXYIHRPWHXXZPB-UHFFFAOYSA-N
XLogP2.72
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-ethyl-N'-methyl-N'-[(2-methyl-5-propan-2-ylphenyl)methyl]propane-1,3-diamine
CID 115251583
2-ethyl-N'-methyl-N'-[(2-methylphenyl)methyl]propane-1,3-diamine
CID 65233412
N-[(2,5-dimethylphenyl)methyl]-N,2-dimethylbutane-1,4-diamine
CID 115202638
1-[(2,5-dimethylphenyl)methyl-methylamino]propan-2-ol
CID 62333578
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]butanenitrile
CID 115253887
[(2,5-dimethylphenyl)methyl-methylamino]methanol
CID 115229092
2-ethyl-N'-[(2-fluorophenyl)methyl]-N'-methylpropane-1,3-diamine
CID 65233471
2-[[(2,5-dimethylphenyl)methyl-methylamino]methyl]-3-methylbutan-1-ol
CID 115252120
2-ethyl-N'-[(4-methoxy-2,3-dimethylphenyl)methyl]-N'-methylpropane-1,3-diamine
CID 115251582
[(2,5-dimethylphenyl)methyl-methylamino]methanethiol
CID 115228030
N'-[(2,4-dimethoxyphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251560
N'-[2-(3,4-dimethylphenyl)ethyl]-2-ethyl-N'-methylpropane-1,3-diamine
CID 115251716

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine (CID 115251540) is N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is CCC(CN)CN(C)Cc1cc(C)ccc1C.
What is the InChIKey of N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
The InChIKey is UXYIHRPWHXXZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-5-14(9-16)10-17(4)11-15-8-12(2)6-7-13(15)3/h6-8,14H,5,9-11,16H2,1-4H3.
What are the key properties of N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine?
N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine has a molecular weight of 234.39 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-dimethylphenyl)methyl]-2-ethyl-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 115251540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).