4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine

C13H28N2O2 — CID 54986642

IUPAC4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine
SMILESCOCCN(CC(C)C)C1(CN)CCOCC1
InChIInChI=1S/C13H28N2O2/c1-12(2)10-15(6-9-16-3)13(11-14)4-7-17-8-5-13/h12H,4-11,14H2,1-3H3
InChIKeyOYRUASYNQRPCSF-UHFFFAOYSA-N
MW244.38 g/mol
LogP1.10
Rot. Bonds7

About 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine

4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine (PubChem CID 54986642) has the molecular formula C13H28N2O2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine.

Molecular Properties

Compound Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine
PubChem CID54986642
Molecular FormulaC13H28N2O2
Molecular Weight244.38 g/mol
Exact Mass244.22
IUPAC Name4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine
SMILESCOCCN(CC(C)C)C1(CN)CCOCC1
InChIInChI=1S/C13H28N2O2/c1-12(2)10-15(6-9-16-3)13(11-14)4-7-17-8-5-13/h12H,4-11,14H2,1-3H3
InChIKeyOYRUASYNQRPCSF-UHFFFAOYSA-N
XLogP1.10
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine?
The IUPAC name of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine (CID 54986642) is 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine.
What is the SMILES notation for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine?
The canonical SMILES for 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine is COCCN(CC(C)C)C1(CN)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine?
The InChIKey is OYRUASYNQRPCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O2/c1-12(2)10-15(6-9-16-3)13(11-14)4-7-17-8-5-13/h12H,4-11,14H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine?
4-(aminomethyl)-N-(2-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine has a molecular weight of 244.38 g/mol, XLogP of 1.10, 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-methoxyethyl)-N-(2-methylpropyl)oxan-4-amine is sourced from PubChem (CID 54986642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).