N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine

C18H25N3O — CID 154764146

IUPACN-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine
SMILESCc1ncc(CN(CCc2ccccc2)C2CCOC2)n1C
InChIInChI=1S/C18H25N3O/c1-15-19-12-18(20(15)2)13-21(17-9-11-22-14-17)10-8-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3
InChIKeyKDFDHOIFYPOGFJ-UHFFFAOYSA-N
MW299.42 g/mol
LogP2.56
Rot. Bonds6

About N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine

N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine (PubChem CID 154764146) has the molecular formula C18H25N3O and a molecular weight of 299.42 g/mol. Its IUPAC name is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine.

Molecular Properties

Compound NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine
PubChem CID154764146
Molecular FormulaC18H25N3O
Molecular Weight299.42 g/mol
Exact Mass299.20
IUPAC NameN-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine
SMILESCc1ncc(CN(CCc2ccccc2)C2CCOC2)n1C
InChIInChI=1S/C18H25N3O/c1-15-19-12-18(20(15)2)13-21(17-9-11-22-14-17)10-8-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3
InChIKeyKDFDHOIFYPOGFJ-UHFFFAOYSA-N
XLogP2.56
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
The IUPAC name of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine (CID 154764146) is N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine.
What is the SMILES notation for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
The canonical SMILES for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine is Cc1ncc(CN(CCc2ccccc2)C2CCOC2)n1C.
What is the InChIKey of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
The InChIKey is KDFDHOIFYPOGFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O/c1-15-19-12-18(20(15)2)13-21(17-9-11-22-14-17)10-8-16-6-4-3-5-7-16/h3-7,12,17H,8-11,13-14H2,1-2H3.
What are the key properties of N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine?
N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine has a molecular weight of 299.42 g/mol, XLogP of 2.56, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethylimidazol-4-yl)methyl]-N-(2-phenylethyl)oxolan-3-amine is sourced from PubChem (CID 154764146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).