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

C11H23NO3 — CID 61483218

IUPAC2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCCCCOCCNCC1COCCO1
InChIInChI=1S/C11H23NO3/c1-2-3-5-13-6-4-12-9-11-10-14-7-8-15-11/h11-12H,2-10H2,1H3
InChIKeyNGOIWMDMLZHYIS-UHFFFAOYSA-N
MW217.31 g/mol
LogP0.81
Rot. Bonds8

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

2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine (PubChem CID 61483218) has the molecular formula C11H23NO3 and a molecular weight of 217.31 g/mol. Its IUPAC name is 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
PubChem CID61483218
Molecular FormulaC11H23NO3
Molecular Weight217.31 g/mol
Exact Mass217.17
IUPAC Name2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine
SMILESCCCCOCCNCC1COCCO1
InChIInChI=1S/C11H23NO3/c1-2-3-5-13-6-4-12-9-11-10-14-7-8-15-11/h11-12H,2-10H2,1H3
InChIKeyNGOIWMDMLZHYIS-UHFFFAOYSA-N
XLogP0.81
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,4-dioxan-2-ylmethyl)-2-(3-methoxypropoxy)ethanamine
CID 103178682
N-[[9-[(hexylamino)methyl]-1,4,7,10,13-pentaoxacyclopentadec-2-yl]methyl]hexan-1-amine
CID 12838862
2-[2-(2-butoxyethoxy)ethoxy]-N-(oxolan-3-ylmethyl)ethanamine
CID 104561873
N-(oxolan-2-ylmethyl)-2-undecoxyethanamine
CID 22091535
3-butoxy-N-(oxan-2-ylmethyl)propan-1-amine
CID 115574364
oxirane;N-(oxiran-2-ylmethyl)pentan-1-amine
CID 88767306
N-(1,4-dioxan-2-ylmethyl)ethanamine
CID 15422769
N-(1,4,7,10,13-pentaoxacyclopentadec-2-ylmethyl)ethanamine
CID 12820576
1-butoxybutane;2-methyloxirane;oxirane
CID 129186869
N-(1,4-dioxan-2-ylmethyl)-2-fluoroethanamine
CID 80695502
2-butoxy-N-[(4-methylcyclohexyl)methyl]ethanamine
CID 63243752
6-(1,4-dioxan-2-ylmethylamino)hexan-1-ol
CID 107703242

Frequently Asked Questions

What is the IUPAC name of 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The IUPAC name of 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine (CID 61483218) is 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine.
What is the SMILES notation for 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The canonical SMILES for 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine is CCCCOCCNCC1COCCO1.
What is the InChIKey of 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine?
The InChIKey is NGOIWMDMLZHYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO3/c1-2-3-5-13-6-4-12-9-11-10-14-7-8-15-11/h11-12H,2-10H2,1H3.
What are the key properties of 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine?
2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine has a molecular weight of 217.31 g/mol, XLogP of 0.81, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-N-(1,4-dioxan-2-ylmethyl)ethanamine is sourced from PubChem (CID 61483218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).