N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine

C13H18N4 — CID 62465995

IUPACN-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCCNc1cc(Cn2ccnc2CC)ccn1
InChIInChI=1S/C13H18N4/c1-3-13-16-7-8-17(13)10-11-5-6-15-12(9-11)14-4-2/h5-9H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyCBRMPYZFPXKWKA-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.32
Rot. Bonds5

About N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine

N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine (PubChem CID 62465995) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
PubChem CID62465995
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC NameN-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine
SMILESCCNc1cc(Cn2ccnc2CC)ccn1
InChIInChI=1S/C13H18N4/c1-3-13-16-7-8-17(13)10-11-5-6-15-12(9-11)14-4-2/h5-9H,3-4,10H2,1-2H3,(H,14,15)
InChIKeyCBRMPYZFPXKWKA-UHFFFAOYSA-N
XLogP2.32
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine?
The IUPAC name of N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine (CID 62465995) is N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine.
What is the SMILES notation for N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine?
The canonical SMILES for N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine is CCNc1cc(Cn2ccnc2CC)ccn1.
What is the InChIKey of N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine?
The InChIKey is CBRMPYZFPXKWKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-3-13-16-7-8-17(13)10-11-5-6-15-12(9-11)14-4-2/h5-9H,3-4,10H2,1-2H3,(H,14,15).
What are the key properties of N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine?
N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine has a molecular weight of 230.31 g/mol, XLogP of 2.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(2-ethylimidazol-1-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 62465995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).