3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide

C9H16N4O — CID 62325743

IUPAC3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccnc1CN
InChIInChI=1S/C9H16N4O/c1-2-11-9(14)3-5-13-6-4-12-8(13)7-10/h4,6H,2-3,5,7,10H2,1H3,(H,11,14)
InChIKeyLUIAWVVVHYFDDJ-UHFFFAOYSA-N
MW196.25 g/mol
LogP-0.13
Rot. Bonds5

About 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide

3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide (PubChem CID 62325743) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
PubChem CID62325743
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccnc1CN
InChIInChI=1S/C9H16N4O/c1-2-11-9(14)3-5-13-6-4-12-8(13)7-10/h4,6H,2-3,5,7,10H2,1H3,(H,11,14)
InChIKeyLUIAWVVVHYFDDJ-UHFFFAOYSA-N
XLogP-0.13
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide (CID 62325743) is 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide is CCNC(=O)CCn1ccnc1CN.
What is the InChIKey of 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide?
The InChIKey is LUIAWVVVHYFDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-11-9(14)3-5-13-6-4-12-8(13)7-10/h4,6H,2-3,5,7,10H2,1H3,(H,11,14).
What are the key properties of 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide?
3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide has a molecular weight of 196.25 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 62325743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).