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

C12H23N3O — CID 105167249

IUPACN-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1nccn1C
InChIInChI=1S/C12H23N3O/c1-5-13-11(9-16-10(2)3)8-12-14-6-7-15(12)4/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeySBDGTHVANSMMKJ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds7

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

N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine (PubChem CID 105167249) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
PubChem CID105167249
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC NameN-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine
SMILESCCNC(COC(C)C)Cc1nccn1C
InChIInChI=1S/C12H23N3O/c1-5-13-11(9-16-10(2)3)8-12-14-6-7-15(12)4/h6-7,10-11,13H,5,8-9H2,1-4H3
InChIKeySBDGTHVANSMMKJ-UHFFFAOYSA-N
XLogP1.37
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 ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethoxy-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761877
N-ethyl-1-(1-methylimidazol-2-yl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 79760751
1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 103546972
[4-(1-methylimidazol-2-yl)-1-propan-2-yloxybutan-2-yl]hydrazine
CID 105340257
N-ethyl-6-methyl-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 114530055
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
N-ethyl-1-(1-methylpyrazol-4-yl)-3-propan-2-yloxypropan-2-amine
CID 105114200
1-(2,4-difluorophenyl)-N-ethyl-3-(1-methylimidazol-2-yl)propan-2-amine
CID 79761359
N-ethyl-6-methoxy-1-(1-methylimidazol-2-yl)heptan-3-amine
CID 105187670
N-ethyl-2-methyl-3-(1-methylimidazol-2-yl)propan-1-amine
CID 64666233

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine (CID 105167249) is N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine is CCNC(COC(C)C)Cc1nccn1C.
What is the InChIKey of N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine?
The InChIKey is SBDGTHVANSMMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-13-11(9-16-10(2)3)8-12-14-6-7-15(12)4/h6-7,10-11,13H,5,8-9H2,1-4H3.
What are the key properties of N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine?
N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine has a molecular weight of 225.34 g/mol, XLogP of 1.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylimidazol-2-yl)-3-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 105167249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).