N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine

C14H23NO2 — CID 116521281

IUPACN-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC(C)(C)O2)o1
InChIInChI=1S/C14H23NO2/c1-10-5-6-13(16-10)11(2)15-9-12-7-8-14(3,4)17-12/h5-6,11-12,15H,7-9H2,1-4H3
InChIKeyRTSUQKGXQSSGIE-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.20
Rot. Bonds4

About N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine

N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine (PubChem CID 116521281) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine.

Molecular Properties

Compound NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
PubChem CID116521281
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
SMILESCc1ccc(C(C)NCC2CCC(C)(C)O2)o1
InChIInChI=1S/C14H23NO2/c1-10-5-6-13(16-10)11(2)15-9-12-7-8-14(3,4)17-12/h5-6,11-12,15H,7-9H2,1-4H3
InChIKeyRTSUQKGXQSSGIE-UHFFFAOYSA-N
XLogP3.20
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 104889511
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(3-fluoro-4-methylphenyl)ethanamine
CID 116521577
N-(cyclobutylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 43298426
1-(2-chlorophenyl)-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 116521330
N-[(4-methylcyclohexyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 63242718
4-[[1-(5-methylfuran-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 106125036
N-(1,3-dioxan-4-ylmethyl)-1-(5-methylfuran-2-yl)ethanamine
CID 81102675
N-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 54898654
N-[(2,2-difluoro-6-bicyclo[3.1.0]hexanyl)methyl]-1-(5-methylfuran-2-yl)ethanamine
CID 166287571
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889526

Frequently Asked Questions

What is the IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The IUPAC name of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine (CID 116521281) is N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine.
What is the SMILES notation for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The canonical SMILES for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine is Cc1ccc(C(C)NCC2CCC(C)(C)O2)o1.
What is the InChIKey of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
The InChIKey is RTSUQKGXQSSGIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-10-5-6-13(16-10)11(2)15-9-12-7-8-14(3,4)17-12/h5-6,11-12,15H,7-9H2,1-4H3.
What are the key properties of N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine?
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine has a molecular weight of 237.34 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,5-dimethyloxolan-2-yl)methyl]-1-(5-methylfuran-2-yl)ethanamine is sourced from PubChem (CID 116521281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).