N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine

C13H25N3O — CID 114204333

IUPACN-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C(COC)C(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-5-6-14-7-12-8-16(10-15-12)13(9-17-4)11(2)3/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyGNIHPBZNGZGBGN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.23
Rot. Bonds8

About N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine

N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine (PubChem CID 114204333) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
PubChem CID114204333
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
SMILESCCCNCc1cn(C(COC)C(C)C)cn1
InChIInChI=1S/C13H25N3O/c1-5-6-14-7-12-8-16(10-15-12)13(9-17-4)11(2)3/h8,10-11,13-14H,5-7,9H2,1-4H3
InChIKeyGNIHPBZNGZGBGN-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[[1-(2-methoxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 106719021
N-[[1-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 114204180
ethyl 2-[4-(propylaminomethyl)imidazol-1-yl]pentanoate
CID 106719239
N-[[1-(1-thiophen-2-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114204286
N-[[1-[3-(2-methoxyethoxy)propyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719077
methyl 2-[4-(propylaminomethyl)imidazol-1-yl]acetate
CID 106719124
N-[[1-(1-ethoxypropan-2-yl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 114204098
2-methoxy-N-[[1-(3-methylbutyl)imidazol-4-yl]methyl]ethanamine
CID 106720362
N-[[1-[2-(dimethylamino)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 106719181
1-methoxy-3-[4-(propylaminomethyl)triazol-1-yl]propan-2-ol
CID 66191790
3-[4-(propylaminomethyl)imidazol-1-yl]propane-1,2-diol
CID 106719229
N-[[1-[(5-methyl-1H-pyrazol-4-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 114204176

Frequently Asked Questions

What is the IUPAC name of N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
The IUPAC name of N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine (CID 114204333) is N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine is CCCNCc1cn(C(COC)C(C)C)cn1.
What is the InChIKey of N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
The InChIKey is GNIHPBZNGZGBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-6-14-7-12-8-16(10-15-12)13(9-17-4)11(2)3/h8,10-11,13-14H,5-7,9H2,1-4H3.
What are the key properties of N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine?
N-[[1-(1-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-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-methoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine is sourced from PubChem (CID 114204333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).