1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine

C10H15NO3 — CID 63002115

IUPAC1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine
SMILESc1cc(CNCC2COCCO2)co1
InChIInChI=1S/C10H15NO3/c1-2-12-7-9(1)5-11-6-10-8-13-3-4-14-10/h1-2,7,10-11H,3-6,8H2
InChIKeyCEGQPFBIDGVQAY-UHFFFAOYSA-N
MW197.23 g/mol
LogP0.78
Rot. Bonds4

About 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine

1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine (PubChem CID 63002115) has the molecular formula C10H15NO3 and a molecular weight of 197.23 g/mol. Its IUPAC name is 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine
PubChem CID63002115
Molecular FormulaC10H15NO3
Molecular Weight197.23 g/mol
Exact Mass197.11
IUPAC Name1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine
SMILESc1cc(CNCC2COCCO2)co1
InChIInChI=1S/C10H15NO3/c1-2-12-7-9(1)5-11-6-10-8-13-3-4-14-10/h1-2,7,10-11H,3-6,8H2
InChIKeyCEGQPFBIDGVQAY-UHFFFAOYSA-N
XLogP0.78
TPSA43.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine?
The IUPAC name of 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine (CID 63002115) is 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine.
What is the SMILES notation for 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine?
The canonical SMILES for 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine is c1cc(CNCC2COCCO2)co1.
What is the InChIKey of 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine?
The InChIKey is CEGQPFBIDGVQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3/c1-2-12-7-9(1)5-11-6-10-8-13-3-4-14-10/h1-2,7,10-11H,3-6,8H2.
What are the key properties of 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine?
1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine has a molecular weight of 197.23 g/mol, XLogP of 0.78, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dioxan-2-yl)-N-(furan-3-ylmethyl)methanamine is sourced from PubChem (CID 63002115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).