N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

C16H25N3O — CID 104805932

IUPACN-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1occc1C
InChIInChI=1S/C16H25N3O/c1-4-7-17-14(16-13(3)6-11-20-16)12-15-18-8-10-19(15)9-5-2/h6,8,10-11,14,17H,4-5,7,9,12H2,1-3H3
InChIKeyGERPBTQVHNOMRK-UHFFFAOYSA-N
MW275.40 g/mol
LogP3.48
Rot. Bonds8

About N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine

N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (PubChem CID 104805932) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
PubChem CID104805932
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
SMILESCCCNC(Cc1nccn1CCC)c1occc1C
InChIInChI=1S/C16H25N3O/c1-4-7-17-14(16-13(3)6-11-20-16)12-15-18-8-10-19(15)9-5-2/h6,8,10-11,14,17H,4-5,7,9,12H2,1-3H3
InChIKeyGERPBTQVHNOMRK-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(2-methyl-3-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105167698
N-[1-(5-ethylthiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 105012328
N-[1-(6-methyl-2-pyridinyl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79751340
1-(3-methylfuran-2-yl)-N-propylpropan-1-amine
CID 104805698
1-(2,5-dimethylphenyl)-N-ethyl-2-(1-propylimidazol-2-yl)ethanamine
CID 105012514
N-methyl-1-(3-methylfuran-2-yl)-1-(1-propylimidazol-2-yl)methanamine
CID 61319379
N-[2-(4-ethylphenyl)-1-(3-methylfuran-2-yl)ethyl]propan-1-amine
CID 104806069
N-ethyl-1-(5-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethanamine
CID 105012426
N-[1-(4-bromothiophen-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 79752603
3,3-dimethyl-N-propyl-1-(1-propylimidazol-2-yl)butan-2-amine
CID 79753036
N-[2-(1-ethylimidazol-2-yl)-1-(2-methyl-4-pyridinyl)ethyl]propan-1-amine
CID 106755587
N-propyl-1-(1-propylimidazol-2-yl)heptan-2-amine
CID 105012472

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The IUPAC name of N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine (CID 104805932) is N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The canonical SMILES for N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is CCCNC(Cc1nccn1CCC)c1occc1C.
What is the InChIKey of N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
The InChIKey is GERPBTQVHNOMRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-4-7-17-14(16-13(3)6-11-20-16)12-15-18-8-10-19(15)9-5-2/h6,8,10-11,14,17H,4-5,7,9,12H2,1-3H3.
What are the key properties of N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine?
N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine has a molecular weight of 275.40 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methylfuran-2-yl)-2-(1-propylimidazol-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 104805932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).