1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine

C13H25N3O — CID 114114925

IUPAC1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
SMILESCCOCC(NCCc1nccn1C)C(C)C
InChIInChI=1S/C13H25N3O/c1-5-17-10-12(11(2)3)14-7-6-13-15-8-9-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyNIFUFCRGNMXHFA-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.61
Rot. Bonds8

About 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine

1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine (PubChem CID 114114925) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine.

Molecular Properties

Compound Name1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
PubChem CID114114925
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
SMILESCCOCC(NCCc1nccn1C)C(C)C
InChIInChI=1S/C13H25N3O/c1-5-17-10-12(11(2)3)14-7-6-13-15-8-9-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyNIFUFCRGNMXHFA-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]pentan-2-amine
CID 61213705
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
1-(2-ethoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 61215157
2-ethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 114527770
2-(1-methylimidazol-2-yl)-N-[2-(2-methylpropoxy)ethyl]ethanamine
CID 114527808
ethyl 2-[2-(1-methylimidazol-2-yl)ethylamino]butanoate
CID 64669742
3-methoxy-2-[2-(1-methylimidazol-2-yl)ethylamino]propanoic acid
CID 103247006
N-[2-(1-methylimidazol-2-yl)ethyl]-1-(3-methylpyrazin-2-yl)ethanamine
CID 102612667
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
2,2-dimethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]ethanamine
CID 63696362
4-[1-[2-(1-methylimidazol-2-yl)ethylamino]ethyl]phenol
CID 61214125
1-(2-methoxyphenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 61210525

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine?
The IUPAC name of 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine (CID 114114925) is 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine.
What is the SMILES notation for 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine?
The canonical SMILES for 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine is CCOCC(NCCc1nccn1C)C(C)C.
What is the InChIKey of 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine?
The InChIKey is NIFUFCRGNMXHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-17-10-12(11(2)3)14-7-6-13-15-8-9-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine?
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine has a molecular weight of 239.36 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine is sourced from PubChem (CID 114114925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).