4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine

C13H28N2O3 — CID 54985666

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine
SMILESCOCCCN(CCOC)C1(CN)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-16-8-3-6-15(7-11-17-2)13(12-14)4-9-18-10-5-13/h3-12,14H2,1-2H3
InChIKeyLCRGEKZDPVKKOB-UHFFFAOYSA-N
MW260.38 g/mol
LogP0.48
Rot. Bonds9

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine

4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine (PubChem CID 54985666) has the molecular formula C13H28N2O3 and a molecular weight of 260.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine
PubChem CID54985666
Molecular FormulaC13H28N2O3
Molecular Weight260.38 g/mol
Exact Mass260.21
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine
SMILESCOCCCN(CCOC)C1(CN)CCOCC1
InChIInChI=1S/C13H28N2O3/c1-16-8-3-6-15(7-11-17-2)13(12-14)4-9-18-10-5-13/h3-12,14H2,1-2H3
InChIKeyLCRGEKZDPVKKOB-UHFFFAOYSA-N
XLogP0.48
TPSA56.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 50.48
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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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine (CID 54985666) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine is COCCCN(CCOC)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine?
The InChIKey is LCRGEKZDPVKKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O3/c1-16-8-3-6-15(7-11-17-2)13(12-14)4-9-18-10-5-13/h3-12,14H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine?
4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine has a molecular weight of 260.38 g/mol, XLogP of 0.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)oxan-4-amine is sourced from PubChem (CID 54985666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).