2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine

C13H21NO — CID 83833926

IUPAC2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine
SMILESCC1CCC(c2ccc(CCN)o2)CC1
InChIInChI=1S/C13H21NO/c1-10-2-4-11(5-3-10)13-7-6-12(15-13)8-9-14/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyQRZGVNCZFGGBFA-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.07
Rot. Bonds3

About 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine

2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine (PubChem CID 83833926) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine.

Molecular Properties

Compound Name2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine
PubChem CID83833926
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine
SMILESCC1CCC(c2ccc(CCN)o2)CC1
InChIInChI=1S/C13H21NO/c1-10-2-4-11(5-3-10)13-7-6-12(15-13)8-9-14/h6-7,10-11H,2-5,8-9,14H2,1H3
InChIKeyQRZGVNCZFGGBFA-UHFFFAOYSA-N
XLogP3.07
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine?
The IUPAC name of 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine (CID 83833926) is 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine.
What is the SMILES notation for 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine?
The canonical SMILES for 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine is CC1CCC(c2ccc(CCN)o2)CC1.
What is the InChIKey of 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine?
The InChIKey is QRZGVNCZFGGBFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10-2-4-11(5-3-10)13-7-6-12(15-13)8-9-14/h6-7,10-11H,2-5,8-9,14H2,1H3.
What are the key properties of 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine?
2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine has a molecular weight of 207.32 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-methylcyclohexyl)furan-2-yl]ethanamine is sourced from PubChem (CID 83833926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).