N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

C16H25N3O — CID 105009280

IUPACN-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ccc(CC)o1
InChIInChI=1S/C16H25N3O/c1-4-9-17-14(15-8-7-13(5-2)20-15)12-16-18-10-11-19(16)6-3/h7-8,10-11,14,17H,4-6,9,12H2,1-3H3
InChIKeyHJIBMVYAQIKIHS-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.34
Rot. Bonds8

About N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 105009280) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID105009280
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CC)c1ccc(CC)o1
InChIInChI=1S/C16H25N3O/c1-4-9-17-14(15-8-7-13(5-2)20-15)12-16-18-10-11-19(16)6-3/h7-8,10-11,14,17H,4-6,9,12H2,1-3H3
InChIKeyHJIBMVYAQIKIHS-UHFFFAOYSA-N
XLogP3.34
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
N-[2-(1-ethylimidazol-2-yl)-1-(2-methoxyphenyl)ethyl]propan-1-amine
CID 79751737
N-[2-(1-ethylimidazol-2-yl)-1-(4-fluoro-3-methylphenyl)ethyl]propan-1-amine
CID 79752632
N-[1-(3-chloro-2-pyridinyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 103444803
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009542
N-[1-(3-bromothiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009218
N-[1-(2-bromo-3-methylphenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 107985190
[1-(5-bromofuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]hydrazine
CID 105321933
N-[2-(1-ethylimidazol-2-yl)-1-(3-methoxy-4-pyridinyl)ethyl]propan-1-amine
CID 105065826
N-[1-(4,5-dimethylthiophen-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 105009051
N-[1-(3-bromo-4-chlorophenyl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine
CID 115567715
N-[1-(5-ethylfuran-2-yl)-2-(furan-2-yl)ethyl]propan-1-amine
CID 105029341

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine (CID 105009280) is N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CC)c1ccc(CC)o1.
What is the InChIKey of N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is HJIBMVYAQIKIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-9-17-14(15-8-7-13(5-2)20-15)12-16-18-10-11-19(16)6-3/h7-8,10-11,14,17H,4-6,9,12H2,1-3H3.
What are the key properties of N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-ethylfuran-2-yl)-2-(1-ethylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 105009280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).