N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine

C12H19NO — CID 116539435

IUPACN-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2ccco2)C1
InChIInChI=1S/C12H19NO/c1-3-13-10-6-7-12(2,9-10)11-5-4-8-14-11/h4-5,8,10,13H,3,6-7,9H2,1-2H3
InChIKeyPSUZLYMDVLCYLC-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.70
Rot. Bonds3

About N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine

N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine (PubChem CID 116539435) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine
PubChem CID116539435
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC NameN-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine
SMILESCCNC1CCC(C)(c2ccco2)C1
InChIInChI=1S/C12H19NO/c1-3-13-10-6-7-12(2,9-10)11-5-4-8-14-11/h4-5,8,10,13H,3,6-7,9H2,1-2H3
InChIKeyPSUZLYMDVLCYLC-UHFFFAOYSA-N
XLogP2.70
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine?
The IUPAC name of N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine (CID 116539435) is N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine.
What is the SMILES notation for N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine?
The canonical SMILES for N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine is CCNC1CCC(C)(c2ccco2)C1.
What is the InChIKey of N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine?
The InChIKey is PSUZLYMDVLCYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-13-10-6-7-12(2,9-10)11-5-4-8-14-11/h4-5,8,10,13H,3,6-7,9H2,1-2H3.
What are the key properties of N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine?
N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(furan-2-yl)-3-methylcyclopentan-1-amine is sourced from PubChem (CID 116539435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).