N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

C13H25N3O — CID 114204098

IUPACN-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)n1cnc(CNCC(C)C)c1
InChIInChI=1S/C13H25N3O/c1-5-17-9-12(4)16-8-13(15-10-16)7-14-6-11(2)3/h8,10-12,14H,5-7,9H2,1-4H3
InChIKeyAYKVUZXWOHAGIY-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds8

About N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114204098) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID114204098
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCOCC(C)n1cnc(CNCC(C)C)c1
InChIInChI=1S/C13H25N3O/c1-5-17-9-12(4)16-8-13(15-10-16)7-14-6-11(2)3/h8,10-12,14H,5-7,9H2,1-4H3
InChIKeyAYKVUZXWOHAGIY-UHFFFAOYSA-N
XLogP2.23
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine (CID 114204098) is N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is CCOCC(C)n1cnc(CNCC(C)C)c1.
What is the InChIKey of N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is AYKVUZXWOHAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-17-9-12(4)16-8-13(15-10-16)7-14-6-11(2)3/h8,10-12,14H,5-7,9H2,1-4H3.
What are the key properties of N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114204098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).