2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide

C13H26N2O3 — CID 65051812

IUPAC2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide
SMILESCC(OC1(CN)CCOCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-10(11(16)15-12(2,3)4)18-13(9-14)5-7-17-8-6-13/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyKIHJYXIAEKLWCK-UHFFFAOYSA-N
MW258.36 g/mol
LogP0.81
Rot. Bonds4

About 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide

2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide (PubChem CID 65051812) has the molecular formula C13H26N2O3 and a molecular weight of 258.36 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide
PubChem CID65051812
Molecular FormulaC13H26N2O3
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide
SMILESCC(OC1(CN)CCOCC1)C(=O)NC(C)(C)C
InChIInChI=1S/C13H26N2O3/c1-10(11(16)15-12(2,3)4)18-13(9-14)5-7-17-8-6-13/h10H,5-9,14H2,1-4H3,(H,15,16)
InChIKeyKIHJYXIAEKLWCK-UHFFFAOYSA-N
XLogP0.81
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide (CID 65051812) is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide is CC(OC1(CN)CCOCC1)C(=O)NC(C)(C)C.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide?
The InChIKey is KIHJYXIAEKLWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O3/c1-10(11(16)15-12(2,3)4)18-13(9-14)5-7-17-8-6-13/h10H,5-9,14H2,1-4H3,(H,15,16).
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide?
2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide has a molecular weight of 258.36 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-tert-butylpropanamide is sourced from PubChem (CID 65051812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).