3-(3-methoxypropyl)-N-methyloxan-4-amine

C10H21NO2 — CID 106469107

IUPAC3-(3-methoxypropyl)-N-methyloxan-4-amine
SMILESCNC1CCOCC1CCCOC
InChIInChI=1S/C10H21NO2/c1-11-10-5-7-13-8-9(10)4-3-6-12-2/h9-11H,3-8H2,1-2H3
InChIKeyKIIWGMYUYGBIEY-UHFFFAOYSA-N
MW187.28 g/mol
LogP1.04
Rot. Bonds5

About 3-(3-methoxypropyl)-N-methyloxan-4-amine

3-(3-methoxypropyl)-N-methyloxan-4-amine (PubChem CID 106469107) has the molecular formula C10H21NO2 and a molecular weight of 187.28 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-N-methyloxan-4-amine.

Molecular Properties

Compound Name3-(3-methoxypropyl)-N-methyloxan-4-amine
PubChem CID106469107
Molecular FormulaC10H21NO2
Molecular Weight187.28 g/mol
Exact Mass187.16
IUPAC Name3-(3-methoxypropyl)-N-methyloxan-4-amine
SMILESCNC1CCOCC1CCCOC
InChIInChI=1S/C10H21NO2/c1-11-10-5-7-13-8-9(10)4-3-6-12-2/h9-11H,3-8H2,1-2H3
InChIKeyKIIWGMYUYGBIEY-UHFFFAOYSA-N
XLogP1.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
CID 106469345
2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
CID 104648337
N-methyl-3-(2-methylpropyl)oxan-4-amine
CID 106469078
3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106469036
3-[(4-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 71648106
2-[2-(3-methoxypropoxy)ethyl]-N-methylcyclohexan-1-amine
CID 103181114
[2-(3-methoxypropyl)cyclobutyl]methanamine
CID 81010610
2-(2-methoxyethyl)-N-methylcyclohexan-1-amine
CID 61382219
3-[(2-methoxyphenyl)methyl]-N-methyloxan-4-amine
CID 106469193
N-methyl-3-[[methyl(3-methylbutan-2-yl)amino]methyl]oxan-4-amine
CID 103058880
N-methyl-3-[(4-methylpiperidin-1-yl)methyl]oxan-4-amine
CID 103058323
N-(4-methoxybutyl)oxolan-3-amine
CID 63335646

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-N-methyloxan-4-amine?
The IUPAC name of 3-(3-methoxypropyl)-N-methyloxan-4-amine (CID 106469107) is 3-(3-methoxypropyl)-N-methyloxan-4-amine.
What is the SMILES notation for 3-(3-methoxypropyl)-N-methyloxan-4-amine?
The canonical SMILES for 3-(3-methoxypropyl)-N-methyloxan-4-amine is CNC1CCOCC1CCCOC.
What is the InChIKey of 3-(3-methoxypropyl)-N-methyloxan-4-amine?
The InChIKey is KIIWGMYUYGBIEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO2/c1-11-10-5-7-13-8-9(10)4-3-6-12-2/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-N-methyloxan-4-amine?
3-(3-methoxypropyl)-N-methyloxan-4-amine has a molecular weight of 187.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-N-methyloxan-4-amine is sourced from PubChem (CID 106469107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).