2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine

C17H27N3O — CID 43767473

IUPAC2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C17H27N3O/c1-4-6-8-14(5-2)13-19-16(15-9-7-12-21-15)17-18-10-11-20(17)3/h7,9-12,14,16,19H,4-6,8,13H2,1-3H3
InChIKeyIEQDTXPELWBPAJ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.91
Rot. Bonds9

About 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine

2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine (PubChem CID 43767473) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
PubChem CID43767473
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine
SMILESCCCCC(CC)CNC(c1ccco1)c1nccn1C
InChIInChI=1S/C17H27N3O/c1-4-6-8-14(5-2)13-19-16(15-9-7-12-21-15)17-18-10-11-20(17)3/h7,9-12,14,16,19H,4-6,8,13H2,1-3H3
InChIKeyIEQDTXPELWBPAJ-UHFFFAOYSA-N
XLogP3.91
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]hexan-1-ol
CID 106114847
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-propoxypropan-1-amine
CID 82942538
3-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]propan-1-ol
CID 43770586
1-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]-4,4-dimethylpentan-2-ol
CID 107151567
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
2-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]acetamide
CID 43754710
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 61284438
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylsulfonylpropan-1-amine
CID 61020764
1-(furan-2-yl)-1-(1-methylimidazol-2-yl)-N-[(2-methylphenyl)methyl]methanamine
CID 60913950
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 54931888

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine (CID 43767473) is 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine is CCCCC(CC)CNC(c1ccco1)c1nccn1C.
What is the InChIKey of 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine?
The InChIKey is IEQDTXPELWBPAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-4-6-8-14(5-2)13-19-16(15-9-7-12-21-15)17-18-10-11-20(17)3/h7,9-12,14,16,19H,4-6,8,13H2,1-3H3.
What are the key properties of 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine?
2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 3.91, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]hexan-1-amine is sourced from PubChem (CID 43767473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).