N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine

C11H23NO4 — CID 103178682

IUPACN-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCC1COCCO1
InChIInChI=1S/C11H23NO4/c1-13-4-2-5-14-6-3-12-9-11-10-15-7-8-16-11/h11-12H,2-10H2,1H3
InChIKeyVBOJEIOMZFFQCE-UHFFFAOYSA-N
MW233.31 g/mol
LogP0.04
Rot. Bonds9

About N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine

N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine (PubChem CID 103178682) has the molecular formula C11H23NO4 and a molecular weight of 233.31 g/mol. Its IUPAC name is N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine.

Molecular Properties

Compound NameN-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine
PubChem CID103178682
Molecular FormulaC11H23NO4
Molecular Weight233.31 g/mol
Exact Mass233.16
IUPAC NameN-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine
SMILESCOCCCOCCNCC1COCCO1
InChIInChI=1S/C11H23NO4/c1-13-4-2-5-14-6-3-12-9-11-10-15-7-8-16-11/h11-12H,2-10H2,1H3
InChIKeyVBOJEIOMZFFQCE-UHFFFAOYSA-N
XLogP0.04
TPSA48.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 61483218
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxymethyl]-1,4,7,10,13-pentaoxacyclopentadecane
CID 15568934
N-[[9-[(hexylamino)methyl]-1,4,7,10,13-pentaoxacyclopentadec-2-yl]methyl]hexan-1-amine
CID 12838862
N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
CID 80695502
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
3-methoxy-N-(oxolan-3-ylmethyl)propan-1-amine
CID 43205123
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
CID 107703242
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
2-methoxy-N-(oxolan-3-ylmethyl)ethanamine
CID 43190181
N-(1,4-dioxan-2-ylmethyl)-1-methoxypropan-2-amine
CID 62535870
N-(1,4-dioxan-2-ylmethyl)-2-methylsulfonylethanamine
CID 61023583
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535

Frequently Asked Questions

What is the IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine?
The IUPAC name of N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine (CID 103178682) is N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine.
What is the SMILES notation for N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine?
The canonical SMILES for N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine is COCCCOCCNCC1COCCO1.
What is the InChIKey of N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine?
The InChIKey is VBOJEIOMZFFQCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO4/c1-13-4-2-5-14-6-3-12-9-11-10-15-7-8-16-11/h11-12H,2-10H2,1H3.
What are the key properties of N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine?
N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine has a molecular weight of 233.31 g/mol, XLogP of 0.04, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine is sourced from PubChem (CID 103178682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).