N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

C16H27NO — CID 114980821

IUPACN-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)oc(C)c1C)C1CCCCC1
InChIInChI=1S/C16H27NO/c1-5-17-16(14-9-7-6-8-10-14)15-11(2)12(3)18-13(15)4/h14,16-17H,5-10H2,1-4H3
InChIKeyVCLMZCXHIGMHCQ-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.44
Rot. Bonds4

About N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine

N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (PubChem CID 114980821) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
PubChem CID114980821
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC NameN-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
SMILESCCNC(c1c(C)oc(C)c1C)C1CCCCC1
InChIInChI=1S/C16H27NO/c1-5-17-16(14-9-7-6-8-10-14)15-11(2)12(3)18-13(15)4/h14,16-17H,5-10H2,1-4H3
InChIKeyVCLMZCXHIGMHCQ-UHFFFAOYSA-N
XLogP4.44
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[cyclopropyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine
CID 104994062
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]ethanamine
CID 43489814
N-[cycloheptyl-(2,3,5,6-tetramethylphenyl)methyl]ethanamine
CID 63508117
N-[cyclohexyl-(2,3,4,5,6-pentafluorophenyl)methyl]ethanamine
CID 114981388
N-[cyclopentyl-(2,3,4,5,6-pentamethylphenyl)methyl]propan-1-amine
CID 43495413
N-[cycloheptyl-(3-methylfuran-2-yl)methyl]ethanamine
CID 104805664
N-[cyclopentyl-(2,4,6-trifluorophenyl)methyl]ethanamine
CID 43490426
N-[cycloheptyl-(2-methoxy-4,6-dimethylphenyl)methyl]ethanamine
CID 106680669
N-[(3-chloro-5-methylphenyl)-cyclohexylmethyl]ethanamine
CID 114980853
3-cyclopropyl-N-ethyl-1-(2,4,5-trimethylfuran-3-yl)propan-1-amine
CID 104994734
N-[cycloheptyl-(3,4-dimethylphenyl)methyl]ethanamine
CID 63507724
N-[(4-bromo-3,5-dimethylphenyl)-cycloheptylmethyl]ethanamine
CID 114330720

Frequently Asked Questions

What is the IUPAC name of N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The IUPAC name of N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine (CID 114980821) is N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The canonical SMILES for N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is CCNC(c1c(C)oc(C)c1C)C1CCCCC1.
What is the InChIKey of N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
The InChIKey is VCLMZCXHIGMHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-17-16(14-9-7-6-8-10-14)15-11(2)12(3)18-13(15)4/h14,16-17H,5-10H2,1-4H3.
What are the key properties of N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine?
N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.44, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclohexyl-(2,4,5-trimethylfuran-3-yl)methyl]ethanamine is sourced from PubChem (CID 114980821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).