N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine

C18H31NO2 — CID 114342453

IUPACN-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1coc(COC2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H31NO2/c1-14(2)10-19-11-15-9-17(20-12-15)13-21-16-5-7-18(3,4)8-6-16/h9,12,14,16,19H,5-8,10-11,13H2,1-4H3
InChIKeySAOCDONIJIYGLM-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.51
Rot. Bonds7

About N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine

N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine (PubChem CID 114342453) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
PubChem CID114342453
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1coc(COC2CCC(C)(C)CC2)c1
InChIInChI=1S/C18H31NO2/c1-14(2)10-19-11-15-9-17(20-12-15)13-21-16-5-7-18(3,4)8-6-16/h9,12,14,16,19H,5-8,10-11,13H2,1-4H3
InChIKeySAOCDONIJIYGLM-UHFFFAOYSA-N
XLogP4.51
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine (CID 114342453) is N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1coc(COC2CCC(C)(C)CC2)c1.
What is the InChIKey of N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is SAOCDONIJIYGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-14(2)10-19-11-15-9-17(20-12-15)13-21-16-5-7-18(3,4)8-6-16/h9,12,14,16,19H,5-8,10-11,13H2,1-4H3.
What are the key properties of N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine?
N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 293.45 g/mol, XLogP of 4.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(4,4-dimethylcyclohexyl)oxymethyl]furan-3-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 114342453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).