3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine

C13H25N3O — CID 82941127

IUPAC3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCOCCCNCc1nccn1CCC
InChIInChI=1S/C13H25N3O/c1-3-8-16-9-7-15-13(16)12-14-6-5-11-17-10-4-2/h7,9,14H,3-6,8,10-12H2,1-2H3
InChIKeyDIZDZFPVQJONNR-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.20
Rot. Bonds10

About 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine

3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine (PubChem CID 82941127) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
PubChem CID82941127
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
SMILESCCCOCCCNCc1nccn1CCC
InChIInChI=1S/C13H25N3O/c1-3-8-16-9-7-15-13(16)12-14-6-5-11-17-10-4-2/h7,9,14H,3-6,8,10-12H2,1-2H3
InChIKeyDIZDZFPVQJONNR-UHFFFAOYSA-N
XLogP2.20
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.20
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-propoxyethyl)imidazol-2-yl]methyl]ethanamine
CID 106455233
N'-[(1-propylimidazol-2-yl)methyl]ethane-1,2-diamine
CID 62957721
3-ethoxy-N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784365
5-methyl-N-[(1-propylimidazol-2-yl)methyl]hexan-1-amine
CID 115325223
3-methylsulfonyl-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine
CID 55152521
5,5,5-trifluoro-N-[(1-propylimidazol-2-yl)methyl]pentan-1-amine
CID 113327188
N-[[1-(3-ethoxypropyl)imidazol-2-yl]methyl]-2-methoxyethanamine
CID 66402286
N-[(1-decylimidazol-2-yl)methyl]propan-1-amine
CID 63409141
N-[(1-hexylimidazol-2-yl)methyl]propan-1-amine
CID 62221809
N-(2-methoxyethyl)-3-(1-propylimidazol-2-yl)propan-1-amine
CID 64502833
2-imidazol-1-yl-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 62956678
2-methoxy-N-[[1-[3-(2,2,2-trifluoroethoxy)propyl]imidazol-2-yl]methyl]ethanamine
CID 66402094

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
The IUPAC name of 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine (CID 82941127) is 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
The canonical SMILES for 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine is CCCOCCCNCc1nccn1CCC.
What is the InChIKey of 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
The InChIKey is DIZDZFPVQJONNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-3-8-16-9-7-15-13(16)12-14-6-5-11-17-10-4-2/h7,9,14H,3-6,8,10-12H2,1-2H3.
What are the key properties of 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine?
3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.20, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[(1-propylimidazol-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 82941127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).