5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine

C13H25N3O — CID 79760856

IUPAC5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1nccn1C
InChIInChI=1S/C13H25N3O/c1-4-7-14-12(6-5-10-17-3)11-13-15-8-9-16(13)2/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyBJMQNUQAXGZLMB-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds9

About 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine

5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine (PubChem CID 79760856) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
PubChem CID79760856
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(CCCOC)Cc1nccn1C
InChIInChI=1S/C13H25N3O/c1-4-7-14-12(6-5-10-17-3)11-13-15-8-9-16(13)2/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyBJMQNUQAXGZLMB-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
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

5-methoxy-N-propyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79761113
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
1-methoxy-N-[(1-methylimidazol-2-yl)methyl]hexan-2-amine
CID 115639642
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472
1-(1-ethylimidazol-2-yl)-N-propylnonan-2-amine
CID 105009255
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
1-(1-methylimidazol-2-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-2-amine
CID 105167081
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
5-methoxy-1-(4-methoxyphenyl)-N-propylpentan-2-amine
CID 112688247
1-methoxy-3-(1-methylimidazol-2-yl)sulfanyl-N-propylpropan-2-amine
CID 107511250
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116726057

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine (CID 79760856) is 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine is CCCNC(CCCOC)Cc1nccn1C.
What is the InChIKey of 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The InChIKey is BJMQNUQAXGZLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-7-14-12(6-5-10-17-3)11-13-15-8-9-16(13)2/h8-9,12,14H,4-7,10-11H2,1-3H3.
What are the key properties of 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.76, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 79760856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).