N-(1,4-dioxan-2-ylmethyl)ethanamine

C7H15NO2 — CID 15422769

IUPACN-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCCNCC1COCCO1
InChIInChI=1S/C7H15NO2/c1-2-8-5-7-6-9-3-4-10-7/h7-8H,2-6H2,1H3
InChIKeyCLHCIYHDEXJKHF-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.01
Rot. Bonds3

About N-(1,4-dioxan-2-ylmethyl)ethanamine

N-(1,4-dioxan-2-ylmethyl)ethanamine (PubChem CID 15422769) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)ethanamine
PubChem CID15422769
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC NameN-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCCNCC1COCCO1
InChIInChI=1S/C7H15NO2/c1-2-8-5-7-6-9-3-4-10-7/h7-8H,2-6H2,1H3
InChIKeyCLHCIYHDEXJKHF-UHFFFAOYSA-N
XLogP0.01
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)ethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)ethanamine (CID 15422769) is N-(1,4-dioxan-2-ylmethyl)ethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)ethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)ethanamine is CCNCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)ethanamine?
The InChIKey is CLHCIYHDEXJKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-8-5-7-6-9-3-4-10-7/h7-8H,2-6H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)ethanamine?
N-(1,4-dioxan-2-ylmethyl)ethanamine has a molecular weight of 145.20 g/mol, XLogP of 0.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 15422769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).