3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine

C16H31N3O — CID 116726057

IUPAC3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1nccn1C)C(OCC)C(C)(C)C
InChIInChI=1S/C16H31N3O/c1-7-9-17-13(12-14-18-10-11-19(14)6)15(20-8-2)16(3,4)5/h10-11,13,15,17H,7-9,12H2,1-6H3
InChIKeyOKLGQNMNIYKDMB-UHFFFAOYSA-N
MW281.44 g/mol
LogP2.78
Rot. Bonds8

About 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine

3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine (PubChem CID 116726057) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine.

Molecular Properties

Compound Name3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
PubChem CID116726057
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
SMILESCCCNC(Cc1nccn1C)C(OCC)C(C)(C)C
InChIInChI=1S/C16H31N3O/c1-7-9-17-13(12-14-18-10-11-19(14)6)15(20-8-2)16(3,4)5/h10-11,13,15,17H,7-9,12H2,1-6H3
InChIKeyOKLGQNMNIYKDMB-UHFFFAOYSA-N
XLogP2.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-N-ethyl-5,5-dimethyl-1-(1-methylimidazol-2-yl)hexan-3-amine
CID 114530763
3-methoxy-3-methyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 116758319
[1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-yl]hydrazine
CID 105246540
5-methoxy-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine
CID 79760856
3-ethoxy-N-ethyl-1-(2-ethyl-1,2,4-triazol-3-yl)-4,4-dimethylpentan-2-amine
CID 116725841
N-[2-(1-methylimidazol-2-yl)-1-(2,4,5-trimethyloxolan-3-yl)ethyl]propan-1-amine
CID 105011555
1-(5-chlorothiophen-2-yl)-3-ethoxy-4,4-dimethyl-N-propylpentan-2-amine
CID 116725952
1,1-diethoxy-3-(1-methylimidazol-2-yl)propan-2-ol
CID 79753127
1,1-dimethoxy-N-propyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760658
1-ethoxy-3-methyl-N-[2-(1-methylimidazol-2-yl)ethyl]butan-2-amine
CID 114114925
N,3,3-trimethyl-1-(1-methylimidazol-2-yl)butan-2-amine
CID 63198283
3-ethoxy-7-methoxy-2,2,7-trimethyl-N-propyloctan-4-amine
CID 103036085

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The IUPAC name of 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine (CID 116726057) is 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine.
What is the SMILES notation for 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The canonical SMILES for 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine is CCCNC(Cc1nccn1C)C(OCC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
The InChIKey is OKLGQNMNIYKDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-7-9-17-13(12-14-18-10-11-19(14)6)15(20-8-2)16(3,4)5/h10-11,13,15,17H,7-9,12H2,1-6H3.
What are the key properties of 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine?
3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-dimethyl-1-(1-methylimidazol-2-yl)-N-propylpentan-2-amine is sourced from PubChem (CID 116726057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).