N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide

C12H24N4O — CID 59766510

IUPACN-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide
SMILESCCNCNC(=O)C(C)(C)C1=NCCN1CC
InChIInChI=1S/C12H24N4O/c1-5-13-9-15-11(17)12(3,4)10-14-7-8-16(10)6-2/h13H,5-9H2,1-4H3,(H,15,17)
InChIKeyIXAGVZGQXTWYPI-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.43
Rot. Bonds6

About N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide

N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide (PubChem CID 59766510) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide
PubChem CID59766510
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC NameN-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide
SMILESCCNCNC(=O)C(C)(C)C1=NCCN1CC
InChIInChI=1S/C12H24N4O/c1-5-13-9-15-11(17)12(3,4)10-14-7-8-16(10)6-2/h13H,5-9H2,1-4H3,(H,15,17)
InChIKeyIXAGVZGQXTWYPI-UHFFFAOYSA-N
XLogP0.43
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide?
The IUPAC name of N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide (CID 59766510) is N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide is CCNCNC(=O)C(C)(C)C1=NCCN1CC.
What is the InChIKey of N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide?
The InChIKey is IXAGVZGQXTWYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-5-13-9-15-11(17)12(3,4)10-14-7-8-16(10)6-2/h13H,5-9H2,1-4H3,(H,15,17).
What are the key properties of N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide?
N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide has a molecular weight of 240.35 g/mol, XLogP of 0.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylaminomethyl)-2-(1-ethyl-4,5-dihydroimidazol-2-yl)-2-methylpropanamide is sourced from PubChem (CID 59766510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).