2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine

C12H23N3O — CID 64534593

IUPAC2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(NC)C(C)OCC
InChIInChI=1S/C12H23N3O/c1-5-8-15-9-7-14-12(15)11(13-4)10(3)16-6-2/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyJPQZDWBMXPOETP-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.98
Rot. Bonds7

About 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine

2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine (PubChem CID 64534593) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
PubChem CID64534593
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
SMILESCCCn1ccnc1C(NC)C(C)OCC
InChIInChI=1S/C12H23N3O/c1-5-8-15-9-7-14-12(15)11(13-4)10(3)16-6-2/h7,9-11,13H,5-6,8H2,1-4H3
InChIKeyJPQZDWBMXPOETP-UHFFFAOYSA-N
XLogP1.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethoxy-N-ethyl-1-(1-ethylimidazol-2-yl)propan-1-amine
CID 64533396
[2-ethoxy-1-(1-ethylimidazol-2-yl)propyl]hydrazine
CID 105222708
2,2-diethoxy-1-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79495582
1-(1-ethylimidazol-2-yl)-N,2-dimethylpropan-1-amine
CID 63967915
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
1-(1-ethylimidazol-2-yl)-N,2-dimethylbutan-1-amine
CID 63968362
4-methoxy-N,3-dimethyl-1-(1-propylimidazol-2-yl)butan-1-amine
CID 105148962
[2,2-difluoro-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105265098
2-N,2-N-diethyl-1-N,2-dimethyl-1-(1-propylimidazol-2-yl)propane-1,2-diamine
CID 79055749
N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 65135355
N,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-amine
CID 63974966
2-methoxy-N-methyl-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79616214

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The IUPAC name of 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine (CID 64534593) is 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine.
What is the SMILES notation for 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The canonical SMILES for 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine is CCCn1ccnc1C(NC)C(C)OCC.
What is the InChIKey of 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
The InChIKey is JPQZDWBMXPOETP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-8-15-9-7-14-12(15)11(13-4)10(3)16-6-2/h7,9-11,13H,5-6,8H2,1-4H3.
What are the key properties of 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine?
2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine has a molecular weight of 225.34 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-methyl-1-(1-propylimidazol-2-yl)propan-1-amine is sourced from PubChem (CID 64534593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).