N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine

C17H29NO2 — CID 114342470

IUPACN-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCC(C)(C)CC2)c(C)o1
InChIInChI=1S/C17H29NO2/c1-5-18-11-16-10-14(13(2)20-16)12-19-15-6-8-17(3,4)9-7-15/h10,15,18H,5-9,11-12H2,1-4H3
InChIKeyKZOJLZOMNQWWBB-UHFFFAOYSA-N
MW279.42 g/mol
LogP4.18
Rot. Bonds6

About N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine

N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine (PubChem CID 114342470) has the molecular formula C17H29NO2 and a molecular weight of 279.42 g/mol. Its IUPAC name is N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
PubChem CID114342470
Molecular FormulaC17H29NO2
Molecular Weight279.42 g/mol
Exact Mass279.22
IUPAC NameN-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine
SMILESCCNCc1cc(COC2CCC(C)(C)CC2)c(C)o1
InChIInChI=1S/C17H29NO2/c1-5-18-11-16-10-14(13(2)20-16)12-19-15-6-8-17(3,4)9-7-15/h10,15,18H,5-9,11-12H2,1-4H3
InChIKeyKZOJLZOMNQWWBB-UHFFFAOYSA-N
XLogP4.18
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.42
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine (CID 114342470) is N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine is CCNCc1cc(COC2CCC(C)(C)CC2)c(C)o1.
What is the InChIKey of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
The InChIKey is KZOJLZOMNQWWBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29NO2/c1-5-18-11-16-10-14(13(2)20-16)12-19-15-6-8-17(3,4)9-7-15/h10,15,18H,5-9,11-12H2,1-4H3.
What are the key properties of N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine?
N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine has a molecular weight of 279.42 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(4,4-dimethylcyclohexyl)oxymethyl]-5-methylfuran-2-yl]methyl]ethanamine is sourced from PubChem (CID 114342470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).