N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine

C13H22N2 — CID 61481983

IUPACN'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)ccc1C
InChIInChI=1S/C13H22N2/c1-4-15(8-7-14)10-13-9-11(2)5-6-12(13)3/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyNSHRZNFFFSZCLP-UHFFFAOYSA-N
MW206.33 g/mol
LogP2.08
Rot. Bonds5

About N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine

N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine (PubChem CID 61481983) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
PubChem CID61481983
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC NameN'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine
SMILESCCN(CCN)Cc1cc(C)ccc1C
InChIInChI=1S/C13H22N2/c1-4-15(8-7-14)10-13-9-11(2)5-6-12(13)3/h5-6,9H,4,7-8,10,14H2,1-3H3
InChIKeyNSHRZNFFFSZCLP-UHFFFAOYSA-N
XLogP2.08
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The IUPAC name of N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine (CID 61481983) is N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The canonical SMILES for N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine is CCN(CCN)Cc1cc(C)ccc1C.
What is the InChIKey of N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
The InChIKey is NSHRZNFFFSZCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-15(8-7-14)10-13-9-11(2)5-6-12(13)3/h5-6,9H,4,7-8,10,14H2,1-3H3.
What are the key properties of N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine?
N'-[(2,5-dimethylphenyl)methyl]-N'-ethylethane-1,2-diamine has a molecular weight of 206.33 g/mol, XLogP of 2.08, 5 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]-N'-ethylethane-1,2-diamine is sourced from PubChem (CID 61481983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).