N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine

C13H27NO3 — CID 106469345

IUPACN-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
SMILESCCNC1CCOCC1CCCOCCOC
InChIInChI=1S/C13H27NO3/c1-3-14-13-6-8-17-11-12(13)5-4-7-16-10-9-15-2/h12-14H,3-11H2,1-2H3
InChIKeySJCTUUJUYFNPQT-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.44
Rot. Bonds9

About N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine

N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine (PubChem CID 106469345) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
PubChem CID106469345
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine
SMILESCCNC1CCOCC1CCCOCCOC
InChIInChI=1S/C13H27NO3/c1-3-14-13-6-8-17-11-12(13)5-4-7-16-10-9-15-2/h12-14H,3-11H2,1-2H3
InChIKeySJCTUUJUYFNPQT-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.44
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

3-(3-methoxypropyl)-N-methyloxan-4-amine
CID 106469107
N-ethyl-2-[3-(2-methoxyethoxy)propyl]-4-propylcyclohexan-1-amine
CID 103410736
N-ethyl-2-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]cyclopentan-1-amine
CID 103177135
3-[[2-ethoxyethyl(methyl)amino]methyl]-N-ethyloxan-4-amine
CID 103060650
3-hexyl-N-propyloxan-4-amine
CID 106469429
3-[2-(3-methoxypropoxy)ethyl]oxan-4-amine
CID 106469036
2-[3-(2-methoxyethoxy)propyl]-N,4-dipropylcyclohexan-1-amine
CID 103410737
3-(3-methoxy-3-methylbutyl)-N-propyloxan-4-amine
CID 106469455
N-ethyl-3-[(5-methyloxolan-2-yl)methyl]oxan-4-amine
CID 106469406
N-[[2-[3-(2-methoxyethoxy)propyl]cycloheptyl]methyl]ethanamine
CID 103415943
2-[3-(2-methoxyethoxy)propyl]cyclobutan-1-amine
CID 103415817
N-ethyl-3-[(4-propylpiperidin-1-yl)methyl]oxan-4-amine
CID 103059033

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine?
The IUPAC name of N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine (CID 106469345) is N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine.
What is the SMILES notation for N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine?
The canonical SMILES for N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine is CCNC1CCOCC1CCCOCCOC.
What is the InChIKey of N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine?
The InChIKey is SJCTUUJUYFNPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-3-14-13-6-8-17-11-12(13)5-4-7-16-10-9-15-2/h12-14H,3-11H2,1-2H3.
What are the key properties of N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine?
N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine has a molecular weight of 245.36 g/mol, XLogP of 1.44, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-[3-(2-methoxyethoxy)propyl]oxan-4-amine is sourced from PubChem (CID 106469345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).