2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine

C15H27N3O — CID 79367798

IUPAC2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCCn1cncc1C1OCCC1CNC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-5-7-18-11-16-10-13(18)14-12(6-8-19-14)9-17-15(2,3)4/h10-12,14,17H,5-9H2,1-4H3
InChIKeyYUFYMJSBJMXXEG-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.76
Rot. Bonds5

About 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine

2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 79367798) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID79367798
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine
SMILESCCCn1cncc1C1OCCC1CNC(C)(C)C
InChIInChI=1S/C15H27N3O/c1-5-7-18-11-16-10-13(18)14-12(6-8-19-14)9-17-15(2,3)4/h10-12,14,17H,5-9H2,1-4H3
InChIKeyYUFYMJSBJMXXEG-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine (CID 79367798) is 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine is CCCn1cncc1C1OCCC1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is YUFYMJSBJMXXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-5-7-18-11-16-10-13(18)14-12(6-8-19-14)9-17-15(2,3)4/h10-12,14,17H,5-9H2,1-4H3.
What are the key properties of 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine?
2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 265.40 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[2-(3-propylimidazol-4-yl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 79367798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).