N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine

C18H31NO2 — CID 64730648

IUPACN-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COC2CC(C)CC(C)C2)oc1CNC(C)C
InChIInChI=1S/C18H31NO2/c1-12(2)19-10-18-15(5)9-17(21-18)11-20-16-7-13(3)6-14(4)8-16/h9,12-14,16,19H,6-8,10-11H2,1-5H3
InChIKeyLBMSQRWMNXOKII-UHFFFAOYSA-N
MW293.45 g/mol
LogP4.43
Rot. Bonds6

About N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine

N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine (PubChem CID 64730648) has the molecular formula C18H31NO2 and a molecular weight of 293.45 g/mol. Its IUPAC name is N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
PubChem CID64730648
Molecular FormulaC18H31NO2
Molecular Weight293.45 g/mol
Exact Mass293.24
IUPAC NameN-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
SMILESCc1cc(COC2CC(C)CC(C)C2)oc1CNC(C)C
InChIInChI=1S/C18H31NO2/c1-12(2)19-10-18-15(5)9-17(21-18)11-20-16-7-13(3)6-14(4)8-16/h9,12-14,16,19H,6-8,10-11H2,1-5H3
InChIKeyLBMSQRWMNXOKII-UHFFFAOYSA-N
XLogP4.43
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine with MolForge

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Related Compounds

N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62445758
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]propan-2-amine
CID 106450107
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
N-[[5-(cyclopentyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62444441
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
[3-methyl-5-[(3-methylcyclohexyl)oxymethyl]furan-2-yl]methanamine
CID 55078007
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-2-amine
CID 62445953
N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
CID 62470359
N-[[5-(cyclohexyloxymethyl)-3-methylfuran-2-yl]methyl]cyclopropanamine
CID 62445952
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 82808168
N-[[5-[[bis(2-methoxyethyl)amino]methyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 62462848

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine (CID 64730648) is N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine is Cc1cc(COC2CC(C)CC(C)C2)oc1CNC(C)C.
What is the InChIKey of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
The InChIKey is LBMSQRWMNXOKII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31NO2/c1-12(2)19-10-18-15(5)9-17(21-18)11-20-16-7-13(3)6-14(4)8-16/h9,12-14,16,19H,6-8,10-11H2,1-5H3.
What are the key properties of N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine?
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine has a molecular weight of 293.45 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 64730648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).