3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

C13H19N5 — CID 62355893

IUPAC3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCn1ccnc1CNc1cnccc1N(C)C
InChIInChI=1S/C13H19N5/c1-4-18-8-7-15-13(18)10-16-11-9-14-6-5-12(11)17(2)3/h5-9,16H,4,10H2,1-3H3
InChIKeyULLDJZABEWKDHD-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.98
Rot. Bonds5

About 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine

3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (PubChem CID 62355893) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.

Molecular Properties

Compound Name3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
PubChem CID62355893
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
SMILESCCn1ccnc1CNc1cnccc1N(C)C
InChIInChI=1S/C13H19N5/c1-4-18-8-7-15-13(18)10-16-11-9-14-6-5-12(11)17(2)3/h5-9,16H,4,10H2,1-3H3
InChIKeyULLDJZABEWKDHD-UHFFFAOYSA-N
XLogP1.98
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(1-ethylimidazol-2-yl)methyl]-2-methylpyridin-3-amine
CID 79041847
2-[(1-ethylimidazol-2-yl)methyl]-1,1-dimethylhydrazine
CID 83003999
2-[(1-ethylimidazol-2-yl)methylamino]-N,N-dimethylbenzamide
CID 62351342
N-[(1-ethylimidazol-2-yl)methyl]-1-pyridin-4-ylmethanamine
CID 62355684
N-[(1-ethylimidazol-2-yl)methyl]-2-imidazol-1-ylaniline
CID 62355714
N-[(1-ethylimidazol-2-yl)methyl]-2-methylquinolin-8-amine
CID 62954974
4-N,4-N-dimethyl-3-N-(1H-pyrrol-3-ylmethyl)pyridine-3,4-diamine
CID 66409159
N-[(1-ethylimidazol-2-yl)methyl]-1H-indazol-4-amine
CID 55064680
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-5-fluoroaniline
CID 113255916
2-bromo-3-chloro-N-[(1-ethylimidazol-2-yl)methyl]aniline
CID 103478138
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]-4-iodoaniline
CID 55064679
3-[[[4-(dimethylamino)-3-pyridinyl]amino]methyl]benzene-1,2-diol
CID 61318267

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The IUPAC name of 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine (CID 62355893) is 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine.
What is the SMILES notation for 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The canonical SMILES for 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is CCn1ccnc1CNc1cnccc1N(C)C.
What is the InChIKey of 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
The InChIKey is ULLDJZABEWKDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-4-18-8-7-15-13(18)10-16-11-9-14-6-5-12(11)17(2)3/h5-9,16H,4,10H2,1-3H3.
What are the key properties of 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine?
3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine has a molecular weight of 245.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1-ethylimidazol-2-yl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine is sourced from PubChem (CID 62355893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).