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

C12H24N2O3 — CID 65051383

IUPAC2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
SMILESCCCNC(=O)C(C)OC1(CN)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-3-6-14-11(15)10(2)17-12(9-13)4-7-16-8-5-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyRJGCFLZMTVIQBQ-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.43
Rot. Bonds6

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

2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide (PubChem CID 65051383) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
PubChem CID65051383
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
SMILESCCCNC(=O)C(C)OC1(CN)CCOCC1
InChIInChI=1S/C12H24N2O3/c1-3-6-14-11(15)10(2)17-12(9-13)4-7-16-8-5-12/h10H,3-9,13H2,1-2H3,(H,14,15)
InChIKeyRJGCFLZMTVIQBQ-UHFFFAOYSA-N
XLogP0.43
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide
CID 65051437
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65050735
2-[1-(aminomethyl)-4-ethylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65052742
2-[1-(aminomethyl)-4-methylcyclohexyl]oxy-N-(2-methoxyethyl)propanamide
CID 65051160
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090
[4-(2-methylpentoxy)oxan-4-yl]methanamine
CID 65051545
[4-(difluoromethoxy)oxan-4-yl]methanamine
CID 65051766
2-amino-2-(oxan-4-yl)-N-propylacetamide
CID 120783160
ethyl 2-[1-(aminomethyl)-4-methylcyclohexyl]oxypropanoate
CID 65050515

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide (CID 65051383) is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide is CCCNC(=O)C(C)OC1(CN)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide?
The InChIKey is RJGCFLZMTVIQBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-3-6-14-11(15)10(2)17-12(9-13)4-7-16-8-5-12/h10H,3-9,13H2,1-2H3,(H,14,15).
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide?
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide has a molecular weight of 244.33 g/mol, XLogP of 0.43, 6 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-propylpropanamide is sourced from PubChem (CID 65051383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).