N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

C16H21N3 — CID 28772199

IUPACN'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCc1cc(C)cc(N(CCN)Cc2cccnc2)c1
InChIInChI=1S/C16H21N3/c1-13-8-14(2)10-16(9-13)19(7-5-17)12-15-4-3-6-18-11-15/h3-4,6,8-11H,5,7,12,17H2,1-2H3
InChIKeyFSSANIKGIDPNHY-UHFFFAOYSA-N
MW255.37 g/mol
LogP2.66
Rot. Bonds5

About N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine

N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (PubChem CID 28772199) has the molecular formula C16H21N3 and a molecular weight of 255.37 g/mol. Its IUPAC name is N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
PubChem CID28772199
Molecular FormulaC16H21N3
Molecular Weight255.37 g/mol
Exact Mass255.17
IUPAC NameN'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
SMILESCc1cc(C)cc(N(CCN)Cc2cccnc2)c1
InChIInChI=1S/C16H21N3/c1-13-8-14(2)10-16(9-13)19(7-5-17)12-15-4-3-6-18-11-15/h3-4,6,8-11H,5,7,12,17H2,1-2H3
InChIKeyFSSANIKGIDPNHY-UHFFFAOYSA-N
XLogP2.66
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(3-fluorophenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771525
N'-(4-methoxyphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 28771920
N'-propyl-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine
CID 61348602
3-[3-amino-N-(pyridin-3-ylmethyl)anilino]propanenitrile
CID 43132705
N-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 110360894
N'-methyl-N'-(pyridin-3-ylmethyl)butane-1,4-diamine
CID 43563175
3-(3-methyl-N-[2-[N-(pyridin-3-ylmethyl)anilino]acetyl]anilino)propanamide
CID 86971783
5-N-methyl-5-N-(pyridin-3-ylmethyl)pyridine-3,5-diamine
CID 104533006
3-amino-N-(4-methylphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 39368333
3-methyl-5-(pyridin-3-ylmethyl)aniline
CID 107579669
N'-benzyl-N'-(3-methyl-2-pyridinyl)ethane-1,2-diamine
CID 62255300
2-amino-N-(3,5-dimethylphenyl)-N-(3-pyridin-3-ylpropyl)propanamide
CID 70464234

Frequently Asked Questions

What is the IUPAC name of N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The IUPAC name of N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine (CID 28772199) is N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine.
What is the SMILES notation for N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The canonical SMILES for N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is Cc1cc(C)cc(N(CCN)Cc2cccnc2)c1.
What is the InChIKey of N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
The InChIKey is FSSANIKGIDPNHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-13-8-14(2)10-16(9-13)19(7-5-17)12-15-4-3-6-18-11-15/h3-4,6,8-11H,5,7,12,17H2,1-2H3.
What are the key properties of N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine?
N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine has a molecular weight of 255.37 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3,5-dimethylphenyl)-N'-(pyridin-3-ylmethyl)ethane-1,2-diamine is sourced from PubChem (CID 28772199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).