N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine

C15H25NO2 — CID 83182901

IUPACN-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccoc2)CCOCC1
InChIInChI=1S/C15H25NO2/c1-13(2)10-16-12-15(4-7-17-8-5-15)9-14-3-6-18-11-14/h3,6,11,13,16H,4-5,7-10,12H2,1-2H3
InChIKeyRNUQRQJFNSYHKM-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.86
Rot. Bonds6

About N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine

N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 83182901) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID83182901
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC NameN-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCC1(Cc2ccoc2)CCOCC1
InChIInChI=1S/C15H25NO2/c1-13(2)10-16-12-15(4-7-17-8-5-15)9-14-3-6-18-11-14/h3,6,11,13,16H,4-5,7-10,12H2,1-2H3
InChIKeyRNUQRQJFNSYHKM-UHFFFAOYSA-N
XLogP2.86
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[[4-[(4-methylphenyl)methyl]oxan-4-yl]methyl]propan-1-amine
CID 62905753
N-[[4-[[furan-3-ylmethyl(methyl)amino]methyl]oxan-4-yl]methyl]ethanamine
CID 62391166
N-[[4-[(2,6-difluorophenyl)methyl]oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 114933661
2-methyl-N-[[4-(2-methylpropyl)oxan-4-yl]methyl]propan-1-amine
CID 62905571
2-methyl-N-[[4-[[methyl(propyl)amino]methyl]oxan-4-yl]methyl]propan-1-amine
CID 55066573
N-[[4-(2-ethoxyethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 55136279
N-[[1-[(4-chlorophenyl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196271
1-[[4-[(2-methylpropylamino)methyl]oxan-4-yl]methyl]pyrrolidine-3,4-diol
CID 106674199
N-[[4-(3-methoxypropyl)oxan-4-yl]methyl]-2-methylpropan-1-amine
CID 62905226
2-methyl-N-[[3-(3-phenylpropyl)oxolan-3-yl]methyl]propan-1-amine
CID 62719041
N-[[4-butyl-1-(furan-3-ylmethyl)cyclohexyl]methyl]propan-1-amine
CID 83178610
N-[[1-[(5-ethylthiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-1-amine
CID 65196618

Frequently Asked Questions

What is the IUPAC name of N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine (CID 83182901) is N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine is CC(C)CNCC1(Cc2ccoc2)CCOCC1.
What is the InChIKey of N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is RNUQRQJFNSYHKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-13(2)10-16-12-15(4-7-17-8-5-15)9-14-3-6-18-11-14/h3,6,11,13,16H,4-5,7-10,12H2,1-2H3.
What are the key properties of N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine?
N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(furan-3-ylmethyl)oxan-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 83182901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).