4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine

C13H22N2O2 — CID 66247559

IUPAC4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CNC(C)Cc1ccco1
InChIInChI=1S/C13H22N2O2/c1-10(6-12-4-3-5-17-12)15-7-11-8-16-9-13(11)14-2/h3-5,10-11,13-15H,6-9H2,1-2H3
InChIKeyPYFWQPUQSTUEHU-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.03
Rot. Bonds6

About 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine

4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine (PubChem CID 66247559) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine
PubChem CID66247559
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CNC(C)Cc1ccco1
InChIInChI=1S/C13H22N2O2/c1-10(6-12-4-3-5-17-12)15-7-11-8-16-9-13(11)14-2/h3-5,10-11,13-15H,6-9H2,1-2H3
InChIKeyPYFWQPUQSTUEHU-UHFFFAOYSA-N
XLogP1.03
TPSA46.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[1-(furan-2-yl)propan-2-ylamino]methyl]oxolan-3-amine
CID 66237936
2-[[1-(furan-2-yl)propan-2-ylamino]methyl]cyclopentan-1-amine
CID 64851073
1-(furan-2-yl)-N-(oxolan-3-ylmethyl)propan-2-amine
CID 43693110
N-[[4-(aminomethyl)cyclohexyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 79527667
1-(furan-2-yl)-N-[(1-methylpyrrolidin-3-yl)methyl]propan-2-amine
CID 63085135
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
1-(furan-2-yl)-N-(1,2,3,4-tetrahydroquinolin-3-ylmethyl)propan-2-amine
CID 106902071
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053
1-[1-(furan-2-yl)propan-2-yl]-N,3-dimethylpiperidin-4-amine
CID 54975952
N-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-ylmethyl)-1-(furan-2-yl)propan-2-amine
CID 79078659
N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-1-(furan-2-yl)propan-2-amine
CID 66364684

Frequently Asked Questions

What is the IUPAC name of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine (CID 66247559) is 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine is CNC1COCC1CNC(C)Cc1ccco1.
What is the InChIKey of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine?
The InChIKey is PYFWQPUQSTUEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-10(6-12-4-3-5-17-12)15-7-11-8-16-9-13(11)14-2/h3-5,10-11,13-15H,6-9H2,1-2H3.
What are the key properties of 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine?
4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine has a molecular weight of 238.33 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-(furan-2-yl)propan-2-ylamino]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66247559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).