N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

C14H25N3O2 — CID 164631836

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cncn1CCOC)C[C@H]1CCCO1
InChIInChI=1S/C14H25N3O2/c1-3-16(11-14-5-4-7-19-14)10-13-9-15-12-17(13)6-8-18-2/h9,12,14H,3-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyFROJLLHMTILUKJ-CQSZACIVSA-N
MW267.37 g/mol
LogP1.53
Rot. Bonds8

About N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (PubChem CID 164631836) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
PubChem CID164631836
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
SMILESCCN(Cc1cncn1CCOC)C[C@H]1CCCO1
InChIInChI=1S/C14H25N3O2/c1-3-16(11-14-5-4-7-19-14)10-13-9-15-12-17(13)6-8-18-2/h9,12,14H,3-8,10-11H2,1-2H3/t14-/m1/s1
InChIKeyFROJLLHMTILUKJ-CQSZACIVSA-N
XLogP1.53
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine (CID 164631836) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is CCN(Cc1cncn1CCOC)C[C@H]1CCCO1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
The InChIKey is FROJLLHMTILUKJ-CQSZACIVSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-3-16(11-14-5-4-7-19-14)10-13-9-15-12-17(13)6-8-18-2/h9,12,14H,3-8,10-11H2,1-2H3/t14-/m1/s1.
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine has a molecular weight of 267.37 g/mol, XLogP of 1.53, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-N-[[(2R)-oxolan-2-yl]methyl]ethanamine is sourced from PubChem (CID 164631836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).