3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide

C13H24N4O — CID 62325908

IUPAC3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-5-14-12(18)6-8-17-9-7-15-11(17)10-16-13(2,3)4/h7,9,16H,5-6,8,10H2,1-4H3,(H,14,18)
InChIKeyFXDBLJJEHYCDEJ-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.30
Rot. Bonds6

About 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide

3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide (PubChem CID 62325908) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide.

Molecular Properties

Compound Name3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
PubChem CID62325908
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide
SMILESCCNC(=O)CCn1ccnc1CNC(C)(C)C
InChIInChI=1S/C13H24N4O/c1-5-14-12(18)6-8-17-9-7-15-11(17)10-16-13(2,3)4/h7,9,16H,5-6,8,10H2,1-4H3,(H,14,18)
InChIKeyFXDBLJJEHYCDEJ-UHFFFAOYSA-N
XLogP1.30
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(aminomethyl)imidazol-1-yl]-N-ethylpropanamide
CID 62325743
N-methyl-3-[2-(methylaminomethyl)imidazol-1-yl]propanamide
CID 62325583
N-[[1-(3-ethylsulfonylpropyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 65097886
N-[[1-(2-ethoxyethyl)imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62222189
N-[[1-[2-(diethylamino)ethyl]imidazol-2-yl]methyl]-2-methylpropan-2-amine
CID 62221842
3-(2-ethylimidazol-1-yl)-N-[(4-ethyl-1,3-thiazol-2-yl)methyl]propanamide
CID 131913488
2-[2-[(tert-butylamino)methyl]pyrrol-1-yl]-N-ethylacetamide
CID 66401632
N-[(5-amino-1,3,4-thiadiazol-2-yl)methyl]-3-(2-ethylimidazol-1-yl)propanamide
CID 122557693
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 62223247
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
2-methyl-N-[[1-[2-(4-methylpiperazin-1-yl)ethyl]imidazol-2-yl]methyl]propan-2-amine
CID 82891583
2-methyl-N-[[1-(4,4,4-trifluorobutyl)imidazol-2-yl]methyl]propan-2-amine
CID 113326667

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide?
The IUPAC name of 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide (CID 62325908) is 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide.
What is the SMILES notation for 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide?
The canonical SMILES for 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide is CCNC(=O)CCn1ccnc1CNC(C)(C)C.
What is the InChIKey of 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide?
The InChIKey is FXDBLJJEHYCDEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-5-14-12(18)6-8-17-9-7-15-11(17)10-16-13(2,3)4/h7,9,16H,5-6,8,10H2,1-4H3,(H,14,18).
What are the key properties of 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide?
3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide has a molecular weight of 252.36 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-ethylpropanamide is sourced from PubChem (CID 62325908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).