1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine

C11H21N3O — CID 79761877

IUPAC1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCCNC(COCC)Cc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-12-10(9-15-5-2)8-11-13-6-7-14(11)3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyOMRPYBZINWTLTL-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.98
Rot. Bonds7

About 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine

1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine (PubChem CID 79761877) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine.

Molecular Properties

Compound Name1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
PubChem CID79761877
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
SMILESCCNC(COCC)Cc1nccn1C
InChIInChI=1S/C11H21N3O/c1-4-12-10(9-15-5-2)8-11-13-6-7-14(11)3/h6-7,10,12H,4-5,8-9H2,1-3H3
InChIKeyOMRPYBZINWTLTL-UHFFFAOYSA-N
XLogP0.98
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
CID 105167249
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760751
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
CID 114114925
N-ethyl-1-(1-ethylimidazol-2-yl)-3-(2,2,2-trifluoroethoxy)propan-2-amine
CID 103215787
N-ethyl-1-methoxy-5-(1-methylimidazol-2-yl)pentan-2-amine
CID 114528660
N-ethyl-1-(1-methylimidazol-2-yl)-3-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 79752465
N-ethyl-1-(1-methylimidazol-2-yl)-5-phenylpentan-2-amine
CID 105167284
5-ethoxy-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 105113599
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
[4,4-dimethyl-1-(1-methylimidazol-2-yl)pentan-2-yl]hydrazine
CID 105220503

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The IUPAC name of 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine (CID 79761877) is 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine.
What is the SMILES notation for 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The canonical SMILES for 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine is CCNC(COCC)Cc1nccn1C.
What is the InChIKey of 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
The InChIKey is OMRPYBZINWTLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-12-10(9-15-5-2)8-11-13-6-7-14(11)3/h6-7,10,12H,4-5,8-9H2,1-3H3.
What are the key properties of 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine?
1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine is sourced from PubChem (CID 79761877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).