N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine

C12H23N3 — CID 66147531

IUPACN-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cncn1C(C)CCC
InChIInChI=1S/C12H23N3/c1-4-6-11(3)15-10-14-9-12(15)8-13-7-5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyXISBTKXLOKGTRQ-UHFFFAOYSA-N
MW209.34 g/mol
LogP2.74
Rot. Bonds7

About N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine

N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine (PubChem CID 66147531) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
PubChem CID66147531
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC NameN-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine
SMILESCCCNCc1cncn1C(C)CCC
InChIInChI=1S/C12H23N3/c1-4-6-11(3)15-10-14-9-12(15)8-13-7-5-2/h9-11,13H,4-8H2,1-3H3
InChIKeyXISBTKXLOKGTRQ-UHFFFAOYSA-N
XLogP2.74
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-heptan-2-ylimidazol-4-yl)methyl]propan-1-amine
CID 66148416
N-[(3-butan-2-ylimidazol-4-yl)methyl]-2-methoxyethanamine
CID 66148790
N-[[3-(dicyclopropylmethyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151948
N-[[3-(1-ethoxy-3-methylbutan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 114115032
N-[(3-hexan-2-ylimidazol-4-yl)methyl]propan-2-amine
CID 66149295
N-[[3-[1-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114286408
2-methoxy-N-[[3-(4-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148185
N-[[3-(2-propan-2-yloxyethyl)imidazol-4-yl]methyl]propan-1-amine
CID 104766858
2-methoxy-N-[[3-(3-methylpentan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66148404
2-methoxy-N-[[3-(2-methylpentan-3-yl)imidazol-4-yl]methyl]ethanamine
CID 66146120
N'-[(3-propan-2-ylimidazol-4-yl)methyl]propane-1,3-diamine
CID 66132307
2-methoxy-N-[[3-(1-methylsulfonylpropan-2-yl)imidazol-4-yl]methyl]ethanamine
CID 66150173

Frequently Asked Questions

What is the IUPAC name of N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine (CID 66147531) is N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine is CCCNCc1cncn1C(C)CCC.
What is the InChIKey of N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine?
The InChIKey is XISBTKXLOKGTRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-4-6-11(3)15-10-14-9-12(15)8-13-7-5-2/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine?
N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine has a molecular weight of 209.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-pentan-2-ylimidazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 66147531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).