[4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine

C16H27NO — CID 62999053

IUPAC[4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-6-8-16(12-17,9-7-13)11-14-5-4-10-18-14/h4-5,10,13H,6-9,11-12,17H2,1-3H3
InChIKeyNFMDAMXWASWEKQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.00
Rot. Bonds3

About [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine

[4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine (PubChem CID 62999053) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine
PubChem CID62999053
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name[4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)(Cc2ccco2)CC1
InChIInChI=1S/C16H27NO/c1-15(2,3)13-6-8-16(12-17,9-7-13)11-14-5-4-10-18-14/h4-5,10,13H,6-9,11-12,17H2,1-3H3
InChIKeyNFMDAMXWASWEKQ-UHFFFAOYSA-N
XLogP4.00
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine (CID 62999053) is [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)(Cc2ccco2)CC1.
What is the InChIKey of [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
The InChIKey is NFMDAMXWASWEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-15(2,3)13-6-8-16(12-17,9-7-13)11-14-5-4-10-18-14/h4-5,10,13H,6-9,11-12,17H2,1-3H3.
What are the key properties of [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine?
[4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine has a molecular weight of 249.40 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-1-(furan-2-ylmethyl)cyclohexyl]methanamine is sourced from PubChem (CID 62999053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).