3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine

C14H27N3 — CID 107977060

IUPAC3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cn(C)cn1
InChIInChI=1S/C14H27N3/c1-5-8-15-13(9-12(6-2)7-3)14-10-17(4)11-16-14/h10-13,15H,5-9H2,1-4H3
InChIKeyDEGDXLBNMDJHAE-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.29
Rot. Bonds8

About 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine

3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine (PubChem CID 107977060) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
PubChem CID107977060
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cn(C)cn1
InChIInChI=1S/C14H27N3/c1-5-8-15-13(9-12(6-2)7-3)14-10-17(4)11-16-14/h10-13,15H,5-9H2,1-4H3
InChIKeyDEGDXLBNMDJHAE-UHFFFAOYSA-N
XLogP3.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-methylimidazol-4-yl)-N-propylbut-3-yn-1-amine
CID 107973339
1-(1-methylimidazol-4-yl)-N-propylbut-3-en-1-amine
CID 107973946
N-ethyl-1-(1-methylimidazol-4-yl)propan-1-amine
CID 107973398
N-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107976708
1-(1-methylimidazol-4-yl)-N-propyloct-7-en-1-amine
CID 114023315
1-(1-methylimidazol-4-yl)-3-(1-methylpyrazol-4-yl)-N-propylpropan-1-amine
CID 107977898
1-(1-methylimidazol-4-yl)propylhydrazine
CID 107978847
N-[2-(2,4-difluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107974113
3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 82923031
N-[2-(2-chloro-3-fluorophenyl)-1-(1-methylimidazol-4-yl)ethyl]propan-1-amine
CID 107977183
N-[(3-fluoro-5-methylphenyl)-(1-methylimidazol-4-yl)methyl]propan-1-amine
CID 107976585
3-ethyl-1-(2-methyl-1,3-thiazol-4-yl)-N-propylpentan-1-amine
CID 105176678

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine (CID 107977060) is 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1cn(C)cn1.
What is the InChIKey of 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine?
The InChIKey is DEGDXLBNMDJHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-15-13(9-12(6-2)7-3)14-10-17(4)11-16-14/h10-13,15H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine?
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine has a molecular weight of 237.39 g/mol, XLogP of 3.29, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 107977060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).