N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide

C12H22N4O — CID 113408188

IUPACN-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide
SMILESCNCc1cncn1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N4O/c1-9(11(17)15-12(2,3)4)16-8-14-7-10(16)6-13-5/h7-9,13H,6H2,1-5H3,(H,15,17)
InChIKeyFNNLNZGZGRIKMH-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.08
Rot. Bonds4

About N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide

N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide (PubChem CID 113408188) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide
PubChem CID113408188
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC NameN-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide
SMILESCNCc1cncn1C(C)C(=O)NC(C)(C)C
InChIInChI=1S/C12H22N4O/c1-9(11(17)15-12(2,3)4)16-8-14-7-10(16)6-13-5/h7-9,13H,6H2,1-5H3,(H,15,17)
InChIKeyFNNLNZGZGRIKMH-UHFFFAOYSA-N
XLogP1.08
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide?
The IUPAC name of N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide (CID 113408188) is N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide.
What is the SMILES notation for N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide?
The canonical SMILES for N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide is CNCc1cncn1C(C)C(=O)NC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide?
The InChIKey is FNNLNZGZGRIKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-9(11(17)15-12(2,3)4)16-8-14-7-10(16)6-13-5/h7-9,13H,6H2,1-5H3,(H,15,17).
What are the key properties of N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide?
N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide has a molecular weight of 238.33 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[5-(methylaminomethyl)imidazol-1-yl]propanamide is sourced from PubChem (CID 113408188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).