3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine

C15H27N3O — CID 114530301

IUPAC3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)C1CCOCC1
InChIInChI=1S/C15H27N3O/c1-3-8-16-14(13-6-11-19-12-7-13)4-5-15-17-9-10-18(15)2/h9-10,13-14,16H,3-8,11-12H2,1-2H3
InChIKeyOEUOWRXGQWLVDL-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.15
Rot. Bonds7

About 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine

3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine (PubChem CID 114530301) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
PubChem CID114530301
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine
SMILESCCCNC(CCc1nccn1C)C1CCOCC1
InChIInChI=1S/C15H27N3O/c1-3-8-16-14(13-6-11-19-12-7-13)4-5-15-17-9-10-18(15)2/h9-10,13-14,16H,3-8,11-12H2,1-2H3
InChIKeyOEUOWRXGQWLVDL-UHFFFAOYSA-N
XLogP2.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-N-propyl-3-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 105147287
1-(1,4-dithian-2-yl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530528
1-cyclobutyl-N-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 114530243
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 114530248
1-cyclopropyl-N-propyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 79762298
N-[1-(oxolan-3-yl)-2-(2-propylimidazol-1-yl)ethyl]propan-1-amine
CID 104747739
1-(1,4-dioxan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 105050021
1-cyclopentylsulfanyl-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 114530277
2-(1-methylimidazol-2-yl)-N-(oxan-4-ylmethyl)ethanamine
CID 62385869
1,1,1-trifluoro-4-(1-methylimidazol-2-yl)-N-propylbutan-2-amine
CID 105049992
1-(1-methylimidazol-2-yl)-N-propyl-5-pyridin-4-ylpentan-3-amine
CID 105187730
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
CID 114530679

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine?
The IUPAC name of 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine (CID 114530301) is 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine.
What is the SMILES notation for 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine?
The canonical SMILES for 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine is CCCNC(CCc1nccn1C)C1CCOCC1.
What is the InChIKey of 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine?
The InChIKey is OEUOWRXGQWLVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-3-8-16-14(13-6-11-19-12-7-13)4-5-15-17-9-10-18(15)2/h9-10,13-14,16H,3-8,11-12H2,1-2H3.
What are the key properties of 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine?
3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine has a molecular weight of 265.40 g/mol, XLogP of 2.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylimidazol-2-yl)-1-(oxan-4-yl)-N-propylpropan-1-amine is sourced from PubChem (CID 114530301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).