[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol

C16H27NO2 — CID 79138645

IUPAC[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)C2(CN)CCC(CC)CC2)o1
InChIInChI=1S/C16H27NO2/c1-3-12-7-9-16(11-17,10-8-12)15(18)14-6-5-13(4-2)19-14/h5-6,12,15,18H,3-4,7-11,17H2,1-2H3
InChIKeyJUAZLEHZUWUMOP-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.42
Rot. Bonds5

About [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol

[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol (PubChem CID 79138645) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol.

Molecular Properties

Compound Name[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol
PubChem CID79138645
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol
SMILESCCc1ccc(C(O)C2(CN)CCC(CC)CC2)o1
InChIInChI=1S/C16H27NO2/c1-3-12-7-9-16(11-17,10-8-12)15(18)14-6-5-13(4-2)19-14/h5-6,12,15,18H,3-4,7-11,17H2,1-2H3
InChIKeyJUAZLEHZUWUMOP-UHFFFAOYSA-N
XLogP3.42
TPSA59.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(aminomethyl)-4-ethylcyclohexyl]-(5-methylfuran-2-yl)methanol
CID 79134973
[1-(aminomethyl)-3-ethylcyclopentyl]-(5-bromofuran-2-yl)methanol
CID 79135075
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-methylphenyl)methanol
CID 79138792
[1-(aminomethyl)-4-ethylcyclohexyl]-(4-propan-2-ylphenyl)methanol
CID 79123405
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,6-dichlorophenyl)methanol
CID 79134806
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-methylpyrazol-3-yl)methanol
CID 114554625
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-chlorophenyl)methanol
CID 79135103
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,5-dimethylphenyl)methanol
CID 79138985
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-chlorothiophen-2-yl)methanol
CID 79137694
[1-(aminomethyl)-4-ethylcyclohexyl]-(2-cyclopropylphenyl)methanol
CID 79971232
[1-(aminomethyl)-4-ethylcyclohexyl]-(2,3-dimethylphenyl)methanol
CID 79138258
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(5-bromofuran-2-yl)methanol
CID 79135610

Frequently Asked Questions

What is the IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol?
The IUPAC name of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol (CID 79138645) is [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol.
What is the SMILES notation for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol?
The canonical SMILES for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol is CCc1ccc(C(O)C2(CN)CCC(CC)CC2)o1.
What is the InChIKey of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol?
The InChIKey is JUAZLEHZUWUMOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-3-12-7-9-16(11-17,10-8-12)15(18)14-6-5-13(4-2)19-14/h5-6,12,15,18H,3-4,7-11,17H2,1-2H3.
What are the key properties of [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol?
[1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol has a molecular weight of 265.40 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(aminomethyl)-4-ethylcyclohexyl]-(5-ethylfuran-2-yl)methanol is sourced from PubChem (CID 79138645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).