1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine

C16H27NO — CID 83175246

IUPAC1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
SMILESCC(C)(C)C1CCC(C(N)Cc2ccoc2)CC1
InChIInChI=1S/C16H27NO/c1-16(2,3)14-6-4-13(5-7-14)15(17)10-12-8-9-18-11-12/h8-9,11,13-15H,4-7,10,17H2,1-3H3
InChIKeyYBAXTICLRGGPKN-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.00
Rot. Bonds3

About 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine

1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine (PubChem CID 83175246) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
PubChem CID83175246
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine
SMILESCC(C)(C)C1CCC(C(N)Cc2ccoc2)CC1
InChIInChI=1S/C16H27NO/c1-16(2,3)14-6-4-13(5-7-14)15(17)10-12-8-9-18-11-12/h8-9,11,13-15H,4-7,10,17H2,1-3H3
InChIKeyYBAXTICLRGGPKN-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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Related Compounds

1-(4,4-dimethylcyclohexyl)-2-(furan-3-yl)ethanamine
CID 83176155
1-(4-tert-butylcyclohexyl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 83175651
1-(4-tert-butylcyclohexyl)-2-(4-methoxyphenyl)ethanamine
CID 63528924
1-(4-tert-butylcyclohexyl)-2-(3-methylphenyl)ethanamine
CID 63527430
1-cyclopropyl-3-(furan-3-yl)propan-1-amine
CID 64506064
[1-cyclopropyl-2-(furan-3-yl)ethyl]hydrazine
CID 105202437
1-(7-bicyclo[4.1.0]heptanyl)-2-(furan-3-yl)ethanamine
CID 105030225
tert-butyl 3-[1-amino-2-(furan-3-yl)ethyl]pyrrolidine-1-carboxylate
CID 107092663
4-cyclohexyl-1-(furan-3-yl)butan-2-amine
CID 105029745
[(4-tert-butylcyclohexyl)-(furan-3-yl)methyl]hydrazine
CID 105232780
1-(furan-3-yl)-3-N,3-N,3-trimethylbutane-2,3-diamine
CID 83175064
1-(4-tert-butylcyclohexyl)-2-pyridin-2-ylethanamine
CID 62718393

Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine (CID 83175246) is 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine is CC(C)(C)C1CCC(C(N)Cc2ccoc2)CC1.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine?
The InChIKey is YBAXTICLRGGPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-16(2,3)14-6-4-13(5-7-14)15(17)10-12-8-9-18-11-12/h8-9,11,13-15H,4-7,10,17H2,1-3H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine?
1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine 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 1-(4-tert-butylcyclohexyl)-2-(furan-3-yl)ethanamine is sourced from PubChem (CID 83175246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).