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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Related Compounds

2-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]butanenitrile
CID 106720101
2-methyl-N-[[1-[2-(2-methylpropoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720145
2-methyl-N-[[1-[2-(3-methylbutoxy)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720260
N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114204333
3-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-1-ol
CID 106720107
N-[[1-(5-ethyl-1,3,4-thiadiazol-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114204585
N,N,2-trimethyl-1-[4-[(2-methylpropylamino)methyl]imidazol-1-yl]propan-2-amine
CID 114204186
N-[(1-butan-2-ylpyrazol-3-yl)methyl]-2-methylpropan-1-amine
CID 64801963
2-methyl-N-[[1-(2H-tetrazol-5-ylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204100
N-[[5-(3-ethoxypropoxy)-2-pyridinyl]methyl]-2-methylpropan-1-amine
CID 79794906
N-[[1-[2-[2-ethoxyethyl(ethyl)amino]ethyl]triazol-4-yl]methyl]-2-methylpropan-1-amine
CID 63691433
2-methyl-N-[[1-[(2-methyl-1,3-thiazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 106720155

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).