3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine

C12H23N3O — CID 115606779

IUPAC3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1cnc(C)[nH]1
InChIInChI=1S/C12H23N3O/c1-3-4-7-16-8-5-6-13-9-12-10-14-11(2)15-12/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyINRBXVSXMGJJQP-UHFFFAOYSA-N
MW225.34 g/mol
LogP2.01
Rot. Bonds9

About 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine

3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine (PubChem CID 115606779) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
PubChem CID115606779
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine
SMILESCCCCOCCCNCc1cnc(C)[nH]1
InChIInChI=1S/C12H23N3O/c1-3-4-7-16-8-5-6-13-9-12-10-14-11(2)15-12/h10,13H,3-9H2,1-2H3,(H,14,15)
InChIKeyINRBXVSXMGJJQP-UHFFFAOYSA-N
XLogP2.01
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-methylsulfanylpropan-1-amine
CID 63983613
methyl 4-[(2-methyl-1H-imidazol-5-yl)methylamino]butanoate
CID 62743472
5-[(3-butoxypropylamino)methyl]pyrimidin-2-amine
CID 102536146
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 64547501
2-methyl-5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 103859407
2-(4-methoxyphenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 62741768
3-[(2-methyl-1H-imidazol-5-yl)methylamino]-N-propylpropanamide
CID 62742559
5-[(3-butoxypropylamino)methyl]-N-ethylpyrimidin-2-amine
CID 102536280
3-butoxy-N-[(2-methylsulfanylpyrimidin-5-yl)methyl]propan-1-amine
CID 102536018
2-(4-fluorophenyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]ethanamine
CID 55114310
N-[(2-methyl-1H-imidazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 62742878

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine (CID 115606779) is 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine is CCCCOCCCNCc1cnc(C)[nH]1.
What is the InChIKey of 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine?
The InChIKey is INRBXVSXMGJJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-7-16-8-5-6-13-9-12-10-14-11(2)15-12/h10,13H,3-9H2,1-2H3,(H,14,15).
What are the key properties of 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine?
3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 2.01, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[(2-methyl-1H-imidazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 115606779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).