N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine

C16H27NO3 — CID 62470359

IUPACN-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(COCC2CCOCC2)oc1CNC(C)C
InChIInChI=1S/C16H27NO3/c1-12(2)17-9-16-13(3)8-15(20-16)11-19-10-14-4-6-18-7-5-14/h8,12,14,17H,4-7,9-11H2,1-3H3
InChIKeyGJUYGGGIZYXPKJ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.03
Rot. Bonds7

About N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine

N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine (PubChem CID 62470359) has the molecular formula C16H27NO3 and a molecular weight of 281.40 g/mol. Its IUPAC name is N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
PubChem CID62470359
Molecular FormulaC16H27NO3
Molecular Weight281.40 g/mol
Exact Mass281.20
IUPAC NameN-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine
SMILESCc1cc(COCC2CCOCC2)oc1CNC(C)C
InChIInChI=1S/C16H27NO3/c1-12(2)17-9-16-13(3)8-15(20-16)11-19-10-14-4-6-18-7-5-14/h8,12,14,17H,4-7,9-11H2,1-3H3
InChIKeyGJUYGGGIZYXPKJ-UHFFFAOYSA-N
XLogP3.03
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-methyl-5-(oxolan-3-ylmethoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62486326
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
2-methyl-N-[[2-methyl-5-(oxan-4-ylmethoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62484927
N-[[5-[(4-bromophenyl)methoxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 82808168
N-[[5-[(3,5-dimethylcyclohexyl)oxymethyl]-3-methylfuran-2-yl]methyl]propan-2-amine
CID 64730648
N-[[3-methyl-5-[(4-methylphenoxy)methyl]furan-2-yl]methyl]propan-2-amine
CID 62449443
N-[[3-methyl-5-[(4-methylpiperidin-1-yl)methyl]furan-2-yl]methyl]propan-2-amine
CID 62439197
1-[5-(2-cyclobutylethoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 106206153
1-[5-(cyclopentylmethoxymethyl)-2-methylfuran-3-yl]-N-methylmethanamine
CID 66323991
N-[[5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]ethanamine
CID 62486908
N,2-dimethyl-N-[[4-methyl-5-[(propan-2-ylamino)methyl]furan-2-yl]methyl]oxolan-3-amine
CID 82753900

Frequently Asked Questions

What is the IUPAC name of N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine (CID 62470359) is N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine is Cc1cc(COCC2CCOCC2)oc1CNC(C)C.
What is the InChIKey of N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine?
The InChIKey is GJUYGGGIZYXPKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO3/c1-12(2)17-9-16-13(3)8-15(20-16)11-19-10-14-4-6-18-7-5-14/h8,12,14,17H,4-7,9-11H2,1-3H3.
What are the key properties of N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine?
N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine has a molecular weight of 281.40 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-methyl-5-(oxan-4-ylmethoxymethyl)furan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 62470359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).