N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine

C12H23N3O — CID 103034948

IUPACN-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CCC(C)(C)OC
InChIInChI=1S/C12H23N3O/c1-5-13-10-11-14-7-9-15(11)8-6-12(2,3)16-4/h7,9,13H,5-6,8,10H2,1-4H3
InChIKeyPRIQLGNCYDNNEC-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.81
Rot. Bonds7

About N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine

N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine (PubChem CID 103034948) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine
PubChem CID103034948
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine
SMILESCCNCc1nccn1CCC(C)(C)OC
InChIInChI=1S/C12H23N3O/c1-5-13-10-11-14-7-9-15(11)8-6-12(2,3)16-4/h7,9,13H,5-6,8,10H2,1-4H3
InChIKeyPRIQLGNCYDNNEC-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine (CID 103034948) is N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine is CCNCc1nccn1CCC(C)(C)OC.
What is the InChIKey of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine?
The InChIKey is PRIQLGNCYDNNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-10-11-14-7-9-15(11)8-6-12(2,3)16-4/h7,9,13H,5-6,8,10H2,1-4H3.
What are the key properties of N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine?
N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine has a molecular weight of 225.34 g/mol, XLogP of 1.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-3-methylbutyl)imidazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 103034948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).