4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine

C15H25NO — CID 65020065

IUPAC4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccco2)CC1
InChIInChI=1S/C15H25NO/c1-2-3-5-13-7-9-15(16,10-8-13)12-14-6-4-11-17-14/h4,6,11,13H,2-3,5,7-10,12,16H2,1H3
InChIKeyGMINPBPHULGAML-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.90
Rot. Bonds5

About 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine

4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 65020065) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
PubChem CID65020065
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC Name4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
SMILESCCCCC1CCC(N)(Cc2ccco2)CC1
InChIInChI=1S/C15H25NO/c1-2-3-5-13-7-9-15(16,10-8-13)12-14-6-4-11-17-14/h4,6,11,13H,2-3,5,7-10,12,16H2,1H3
InChIKeyGMINPBPHULGAML-UHFFFAOYSA-N
XLogP3.90
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine (CID 65020065) is 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine is CCCCC1CCC(N)(Cc2ccco2)CC1.
What is the InChIKey of 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is GMINPBPHULGAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-2-3-5-13-7-9-15(16,10-8-13)12-14-6-4-11-17-14/h4,6,11,13H,2-3,5,7-10,12,16H2,1H3.
What are the key properties of 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine?
4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine has a molecular weight of 235.37 g/mol, XLogP of 3.90, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 65020065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).