4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine

C12H26N2O2 — CID 63697360

IUPAC4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine
SMILESCCOCCN(CC)C1(CN)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-14(7-10-15-4-2)12(11-13)5-8-16-9-6-12/h3-11,13H2,1-2H3
InChIKeyDFZXOOJNPNDIGT-UHFFFAOYSA-N
MW230.35 g/mol
LogP0.85
Rot. Bonds7

About 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine

4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine (PubChem CID 63697360) has the molecular formula C12H26N2O2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine
PubChem CID63697360
Molecular FormulaC12H26N2O2
Molecular Weight230.35 g/mol
Exact Mass230.20
IUPAC Name4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine
SMILESCCOCCN(CC)C1(CN)CCOCC1
InChIInChI=1S/C12H26N2O2/c1-3-14(7-10-15-4-2)12(11-13)5-8-16-9-6-12/h3-11,13H2,1-2H3
InChIKeyDFZXOOJNPNDIGT-UHFFFAOYSA-N
XLogP0.85
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 50.85
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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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine (CID 63697360) is 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine is CCOCCN(CC)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine?
The InChIKey is DFZXOOJNPNDIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O2/c1-3-14(7-10-15-4-2)12(11-13)5-8-16-9-6-12/h3-11,13H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine?
4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine has a molecular weight of 230.35 g/mol, XLogP of 0.85, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(2-ethoxyethyl)-N-ethyloxan-4-amine is sourced from PubChem (CID 63697360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).