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

C17H25N3O — CID 64920941

IUPAC3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(c2ccco2)c2nccn2C)C1C
InChIInChI=1S/C17H25N3O/c1-4-13-7-8-14(12(13)2)19-16(15-6-5-11-21-15)17-18-9-10-20(17)3/h5-6,9-14,16,19H,4,7-8H2,1-3H3
InChIKeyTYKYHOQPFVXIGH-UHFFFAOYSA-N
MW287.41 g/mol
LogP3.52
Rot. Bonds5

About 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine

3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine (PubChem CID 64920941) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
PubChem CID64920941
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC Name3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine
SMILESCCC1CCC(NC(c2ccco2)c2nccn2C)C1C
InChIInChI=1S/C17H25N3O/c1-4-13-7-8-14(12(13)2)19-16(15-6-5-11-21-15)17-18-9-10-20(17)3/h5-6,9-14,16,19H,4,7-8H2,1-3H3
InChIKeyTYKYHOQPFVXIGH-UHFFFAOYSA-N
XLogP3.52
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-2-methyl-N-[1-(1-methylimidazol-2-yl)ethyl]cyclopentan-1-amine
CID 64923315
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]cycloheptanamine
CID 43767058
4-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]cyclohexan-1-ol
CID 43761692
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-1-methylpiperidin-3-amine
CID 61211228
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylpentan-2-amine
CID 61463674
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-1-(furan-2-yl)-1-(1-methylimidazol-2-yl)methanamine
CID 106302264
[1-[[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]methyl]cyclopropyl]methanol
CID 115454330
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-3-methylbutan-2-amine
CID 43773884
6-[[furan-2-yl-(1-methylimidazol-2-yl)methyl]amino]hexan-1-ol
CID 107849626
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
N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 104759298

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
The IUPAC name of 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine (CID 64920941) is 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine is CCC1CCC(NC(c2ccco2)c2nccn2C)C1C.
What is the InChIKey of 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
The InChIKey is TYKYHOQPFVXIGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-4-13-7-8-14(12(13)2)19-16(15-6-5-11-21-15)17-18-9-10-20(17)3/h5-6,9-14,16,19H,4,7-8H2,1-3H3.
What are the key properties of 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine?
3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine has a molecular weight of 287.41 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[furan-2-yl-(1-methylimidazol-2-yl)methyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 64920941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).