1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine

C14H23NO — CID 81031398

IUPAC1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2ccco2)C1
InChIInChI=1S/C14H23NO/c1-3-11-6-7-12(10-15-2)13(9-11)14-5-4-8-16-14/h4-5,8,11-13,15H,3,6-7,9-10H2,1-2H3
InChIKeyLOTIZNZBBVDAMF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.41
Rot. Bonds4

About 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine

1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine (PubChem CID 81031398) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
PubChem CID81031398
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine
SMILESCCC1CCC(CNC)C(c2ccco2)C1
InChIInChI=1S/C14H23NO/c1-3-11-6-7-12(10-15-2)13(9-11)14-5-4-8-16-14/h4-5,8,11-13,15H,3,6-7,9-10H2,1-2H3
InChIKeyLOTIZNZBBVDAMF-UHFFFAOYSA-N
XLogP3.41
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine (CID 81031398) is 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine is CCC1CCC(CNC)C(c2ccco2)C1.
What is the InChIKey of 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine?
The InChIKey is LOTIZNZBBVDAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-11-6-7-12(10-15-2)13(9-11)14-5-4-8-16-14/h4-5,8,11-13,15H,3,6-7,9-10H2,1-2H3.
What are the key properties of 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine?
1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine has a molecular weight of 221.34 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-ethyl-2-(furan-2-yl)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 81031398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).