1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine

C15H26N2O2 — CID 63725204

IUPAC1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)CC1CCCOC1
InChIInChI=1S/C15H26N2O2/c1-3-13(16)15(14-7-5-9-19-14)17(2)10-12-6-4-8-18-11-12/h5,7,9,12-13,15H,3-4,6,8,10-11,16H2,1-2H3
InChIKeyXTZUFTNOBKTMCP-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.42
Rot. Bonds6

About 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine

1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine (PubChem CID 63725204) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
PubChem CID63725204
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
SMILESCCC(N)C(c1ccco1)N(C)CC1CCCOC1
InChIInChI=1S/C15H26N2O2/c1-3-13(16)15(14-7-5-9-19-14)17(2)10-12-6-4-8-18-11-12/h5,7,9,12-13,15H,3-4,6,8,10-11,16H2,1-2H3
InChIKeyXTZUFTNOBKTMCP-UHFFFAOYSA-N
XLogP2.42
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(furan-2-yl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63725736
1-N-methyl-1-(4-methylphenyl)-1-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63727618
1-N-(2-bicyclo[2.2.1]heptanylmethyl)-1-(furan-2-yl)-1-N-methylbutane-1,2-diamine
CID 63688288
1-(2-chlorophenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63727801
2-N-methyl-2-N-(oxan-3-ylmethyl)butane-1,2-diamine
CID 63725583
N-methyl-N-(oxan-3-ylmethyl)-1-phenylethane-1,2-diamine
CID 63726928
1-(3-methoxyphenyl)-1-N-methyl-1-N-(oxan-3-ylmethyl)propane-1,2-diamine
CID 63726760
4-[1-[methyl(oxan-3-ylmethyl)amino]ethyl]aniline
CID 63726580
1-N-ethyl-2-N-methyl-2-N-(oxan-3-ylmethyl)-1-phenylpropane-1,2-diamine
CID 63727332
1-N-(cyclopentylmethyl)-1-(2-fluorophenyl)-1-N-methylbutane-1,2-diamine
CID 63633108
1-(cyclopentylmethoxy)-1-(furan-2-yl)butan-2-amine
CID 66324500
1-(4-fluorophenyl)-1-N-methyl-1-N-(oxan-4-ylmethyl)butane-1,2-diamine
CID 63726256

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The IUPAC name of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine (CID 63725204) is 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine.
What is the SMILES notation for 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The canonical SMILES for 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine is CCC(N)C(c1ccco1)N(C)CC1CCCOC1.
What is the InChIKey of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
The InChIKey is XTZUFTNOBKTMCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-3-13(16)15(14-7-5-9-19-14)17(2)10-12-6-4-8-18-11-12/h5,7,9,12-13,15H,3-4,6,8,10-11,16H2,1-2H3.
What are the key properties of 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine?
1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine has a molecular weight of 266.38 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-yl)-1-N-methyl-1-N-(oxan-3-ylmethyl)butane-1,2-diamine is sourced from PubChem (CID 63725204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).