[5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone

C14H21NO2 — CID 116590103

IUPAC[5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(CN)o2)CC1
InChIInChI=1S/C14H21NO2/c1-2-10-3-5-11(6-4-10)14(16)13-8-7-12(9-15)17-13/h7-8,10-11H,2-6,9,15H2,1H3
InChIKeyBAKJCVDYHQPBSA-UHFFFAOYSA-N
MW235.33 g/mol
LogP3.14
Rot. Bonds4

About [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone

[5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone (PubChem CID 116590103) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name[5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone
PubChem CID116590103
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name[5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2ccc(CN)o2)CC1
InChIInChI=1S/C14H21NO2/c1-2-10-3-5-11(6-4-10)14(16)13-8-7-12(9-15)17-13/h7-8,10-11H,2-6,9,15H2,1H3
InChIKeyBAKJCVDYHQPBSA-UHFFFAOYSA-N
XLogP3.14
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-benzofuran-2-yl-(4-ethylcyclohexyl)methanone
CID 64773771
(4-ethylcyclohexyl)-(5-methyl-1-benzofuran-2-yl)methanone
CID 114725432
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
[4-(aminomethyl)cyclohexyl]-(5-methyl-1-benzofuran-2-yl)methanone
CID 114737007
2-cyclopropyl-1-(5-ethylfuran-2-yl)ethanone
CID 62346024
5-(aminomethyl)-N-(2-cyclopropylpropan-2-yl)furan-2-carboxamide
CID 103809618
2-aminoacetic acid;ethylcyclopropane
CID 144543522
5-(aminomethyl)-N-[(3-methylcyclohexyl)methyl]furan-2-carboxamide
CID 103809834
(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
ethyl 2-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]acetate
CID 54151231
5-(aminomethyl)-N-(2,6-dimethylpiperidin-1-yl)furan-2-carboxamide
CID 83021104
5-(cyclopropylmethyl)furan-2-carboxylic acid
CID 83815892

Frequently Asked Questions

What is the IUPAC name of [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone?
The IUPAC name of [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone (CID 116590103) is [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone?
The canonical SMILES for [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2ccc(CN)o2)CC1.
What is the InChIKey of [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone?
The InChIKey is BAKJCVDYHQPBSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-2-10-3-5-11(6-4-10)14(16)13-8-7-12(9-15)17-13/h7-8,10-11H,2-6,9,15H2,1H3.
What are the key properties of [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone?
[5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone has a molecular weight of 235.33 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(aminomethyl)furan-2-yl]-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 116590103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).