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

C14H27N3 — CID 82923031

IUPAC3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cncn1C
InChIInChI=1S/C14H27N3/c1-5-8-16-13(9-12(6-2)7-3)14-10-15-11-17(14)4/h10-13,16H,5-9H2,1-4H3
InChIKeyVNVGUXKMUVIPOM-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.29
Rot. Bonds8

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

3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine (PubChem CID 82923031) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine.

Molecular Properties

Compound Name3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
PubChem CID82923031
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine
SMILESCCCNC(CC(CC)CC)c1cncn1C
InChIInChI=1S/C14H27N3/c1-5-8-16-13(9-12(6-2)7-3)14-10-15-11-17(14)4/h10-13,16H,5-9H2,1-4H3
InChIKeyVNVGUXKMUVIPOM-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-(3-methylimidazol-4-yl)-N-propylpent-4-en-1-amine
CID 82902041
N-[2,2-difluoro-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 80605539
N-methyl-1-(3-methylimidazol-4-yl)propan-1-amine
CID 82903287
N-[1-(3-methylimidazol-4-yl)-2-pyridin-2-ylethyl]propan-1-amine
CID 82903504
3-(1-methylimidazol-2-yl)-1-(3-methylimidazol-4-yl)-N-propylpropan-1-amine
CID 114530679
3-ethyl-1-(1-methylimidazol-4-yl)-N-propylpentan-1-amine
CID 107977060
N-[2-(2-ethyl-1,2,4-triazol-3-yl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82902334
N-[2-(2-methoxyphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82903206
N-[2-(2-chloro-4-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 106866577
1-(3-methylimidazol-4-yl)-3-(oxolan-2-yl)-N-propylpropan-1-amine
CID 82903491
1-(1,5-dimethylpyrazol-4-yl)-3-ethyl-N-propylpentan-1-amine
CID 105176674
N-[2-(2-methoxy-5-methylphenyl)-1-(3-methylimidazol-4-yl)ethyl]propan-1-amine
CID 82887282

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
The IUPAC name of 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine (CID 82923031) is 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine.
What is the SMILES notation for 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
The canonical SMILES for 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine is CCCNC(CC(CC)CC)c1cncn1C.
What is the InChIKey of 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
The InChIKey is VNVGUXKMUVIPOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-5-8-16-13(9-12(6-2)7-3)14-10-15-11-17(14)4/h10-13,16H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-methylimidazol-4-yl)-N-propylpentan-1-amine?
3-ethyl-1-(3-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-(3-methylimidazol-4-yl)-N-propylpentan-1-amine is sourced from PubChem (CID 82923031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).