3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine

C13H25N3O — CID 116760949

IUPAC3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(Cc1nccn1C)NC
InChIInChI=1S/C13H25N3O/c1-6-13(7-2,17-5)11(14-3)10-12-15-8-9-16(12)4/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyKJASBOFPIYUARG-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.76
Rot. Bonds7

About 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine

3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine (PubChem CID 116760949) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
PubChem CID116760949
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
SMILESCCC(CC)(OC)C(Cc1nccn1C)NC
InChIInChI=1S/C13H25N3O/c1-6-13(7-2,17-5)11(14-3)10-12-15-8-9-16(12)4/h8-9,11,14H,6-7,10H2,1-5H3
InChIKeyKJASBOFPIYUARG-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116759914
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
4-ethyl-4-methoxy-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530777
3-ethoxy-3-ethyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116752394
N,3-dimethyl-1-(1-methylimidazol-2-yl)-3-piperidin-1-ylbutan-2-amine
CID 79761018
4-methoxy-N-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79751381
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 79762264
[4-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 103025406
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
1-(2,5-dimethylpyrazol-3-yl)-3-ethyl-3-methoxy-N-methylpentan-2-amine
CID 116760786

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine?
The IUPAC name of 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine (CID 116760949) is 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine is CCC(CC)(OC)C(Cc1nccn1C)NC.
What is the InChIKey of 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine?
The InChIKey is KJASBOFPIYUARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-13(7-2,17-5)11(14-3)10-12-15-8-9-16(12)4/h8-9,11,14H,6-7,10H2,1-5H3.
What are the key properties of 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine?
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116760949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).