N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

C15H20N4 — CID 94271829

IUPACN-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(-c2cccc(N)c2)cn1
InChIInChI=1S/C15H20N4/c1-19(2)9-8-17-15-7-6-13(11-18-15)12-4-3-5-14(16)10-12/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,18)
InChIKeyXJYUBNKPDFWREU-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.30
Rot. Bonds5

About N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine

N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (PubChem CID 94271829) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
PubChem CID94271829
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC NameN-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNc1ccc(-c2cccc(N)c2)cn1
InChIInChI=1S/C15H20N4/c1-19(2)9-8-17-15-7-6-13(11-18-15)12-4-3-5-14(16)10-12/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,18)
InChIKeyXJYUBNKPDFWREU-UHFFFAOYSA-N
XLogP2.30
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-(3-aminophenyl)-N-ethylpyridin-2-amine
CID 82113494
3-(6-hydrazinyl-3-pyridinyl)aniline
CID 149471431
N',N'-dimethyl-N-(5-methyl-2-pyridinyl)ethane-1,2-diamine;molecular hydrogen
CID 145001272
3-[6-(3-aminophenyl)-3-pyridinyl]aniline
CID 141227137
N-[6-(3-aminophenyl)pyrimidin-4-yl]-N',N'-di(propan-2-yl)ethane-1,2-diamine
CID 117091031
N-[5-(6-fluoro-1H-indol-3-yl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine
CID 118293044
N',N'-dimethyl-N-(5-phenylpyrimidin-2-yl)ethane-1,2-diamine
CID 3613650
4-N-[2-(dimethylamino)ethyl]pyrimidine-4,6-diamine
CID 80770931
ethyl N-[6-[2-(dimethylamino)ethylamino]-3-pyridinyl]carbamate
CID 113010767
6-[2-(dimethylamino)ethylamino]-N,N-diethylpyridine-3-carboxamide
CID 109153766
2-N-[2-(dimethylamino)ethyl]-6-ethoxypyridine-2,5-diamine
CID 43260939
1-[3-[6-(2-pyridin-4-ylethylamino)-3-pyridinyl]phenyl]ethanone
CID 126470343

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine (CID 94271829) is N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is CN(C)CCNc1ccc(-c2cccc(N)c2)cn1.
What is the InChIKey of N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
The InChIKey is XJYUBNKPDFWREU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-19(2)9-8-17-15-7-6-13(11-18-15)12-4-3-5-14(16)10-12/h3-7,10-11H,8-9,16H2,1-2H3,(H,17,18).
What are the key properties of N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine?
N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine has a molecular weight of 256.35 g/mol, XLogP of 2.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-aminophenyl)-2-pyridinyl]-N',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 94271829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).