3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine

C16H31N3O — CID 116759914

IUPAC3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
SMILESCCCn1ccnc1CC(NC)C(CC)(CC)OCC
InChIInChI=1S/C16H31N3O/c1-6-11-19-12-10-18-15(19)13-14(17-5)16(7-2,8-3)20-9-4/h10,12,14,17H,6-9,11,13H2,1-5H3
InChIKeyBLHIRIOTCJTFFB-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.02
Rot. Bonds10

About 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine

3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine (PubChem CID 116759914) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
PubChem CID116759914
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine
SMILESCCCn1ccnc1CC(NC)C(CC)(CC)OCC
InChIInChI=1S/C16H31N3O/c1-6-11-19-12-10-18-15(19)13-14(17-5)16(7-2,8-3)20-9-4/h10,12,14,17H,6-9,11,13H2,1-5H3
InChIKeyBLHIRIOTCJTFFB-UHFFFAOYSA-N
XLogP3.02
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-ethoxy-3-methyl-1-(1-propylimidazol-2-yl)butan-2-yl]hydrazine
CID 105274225
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
N,3-diethyl-3-methoxy-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 116761173
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
3-ethyl-3-methoxy-N-methyl-1-(1-methylimidazol-2-yl)pentan-2-amine
CID 116760949
N-ethyl-3,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79752910
1-(1-ethylimidazol-2-yl)-N,3,3-trimethylpentan-2-amine
CID 105009154
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
3-(1-ethylimidazol-2-yl)-1,1,1-trifluoro-N-methylpropan-2-amine
CID 105009494
[3-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylpentan-2-yl]hydrazine
CID 105274938
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine?
The IUPAC name of 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine (CID 116759914) is 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine.
What is the SMILES notation for 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine?
The canonical SMILES for 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine is CCCn1ccnc1CC(NC)C(CC)(CC)OCC.
What is the InChIKey of 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine?
The InChIKey is BLHIRIOTCJTFFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-6-11-19-12-10-18-15(19)13-14(17-5)16(7-2,8-3)20-9-4/h10,12,14,17H,6-9,11,13H2,1-5H3.
What are the key properties of 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine?
3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.02, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-3-ethyl-N-methyl-1-(1-propylimidazol-2-yl)pentan-2-amine is sourced from PubChem (CID 116759914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).