2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide

C14H28N2O3 — CID 65051437

IUPAC2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)OC1(CN)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-4-12(5-2)16-13(17)11(3)19-14(10-15)6-8-18-9-7-14/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyUUNVNLNSBQMOQA-UHFFFAOYSA-N
MW272.39 g/mol
LogP1.20
Rot. Bonds7

About 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide

2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide (PubChem CID 65051437) has the molecular formula C14H28N2O3 and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide.

Molecular Properties

Compound Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide
PubChem CID65051437
Molecular FormulaC14H28N2O3
Molecular Weight272.39 g/mol
Exact Mass272.21
IUPAC Name2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide
SMILESCCC(CC)NC(=O)C(C)OC1(CN)CCOCC1
InChIInChI=1S/C14H28N2O3/c1-4-12(5-2)16-13(17)11(3)19-14(10-15)6-8-18-9-7-14/h11-12H,4-10,15H2,1-3H3,(H,16,17)
InChIKeyUUNVNLNSBQMOQA-UHFFFAOYSA-N
XLogP1.20
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(aminomethyl)oxan-4-yl]oxy-N-propylpropanamide
CID 65051383
2-[4-(aminomethyl)oxan-4-yl]oxy-N-propan-2-ylacetamide
CID 65052090
2-[1-(aminomethyl)cycloheptyl]oxy-N-ethylpropanamide
CID 65051480
4-(aminomethyl)-N-hexan-3-yloxane-4-carboxamide
CID 62117621
1-[4-(aminomethyl)oxan-4-yl]oxypropan-2-ol
CID 65051975
2-[1-(aminomethyl)cyclopentyl]oxy-N-butylpropanamide
CID 65051029
4-(aminomethyl)-N-(1-hydroxybutan-2-yl)oxane-4-carboxamide
CID 115438973
4-amino-N-hexan-3-yloxane-4-carboxamide
CID 115294789
(2S)-3-methyl-2-[(4-methyloxan-4-yl)carbamoylamino]pentanoic acid
CID 113491250
[4-(difluoromethoxy)oxan-4-yl]methanamine
CID 65051766
ethyl 2-[1-(aminomethyl)-4,4-dimethylcyclohexyl]oxypropanoate
CID 65052924
N-hexan-3-yl-4-(N'-hydroxycarbamimidoyl)oxane-4-carboxamide
CID 76935993

Frequently Asked Questions

What is the IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide?
The IUPAC name of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide (CID 65051437) is 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide.
What is the SMILES notation for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide?
The canonical SMILES for 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide is CCC(CC)NC(=O)C(C)OC1(CN)CCOCC1.
What is the InChIKey of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide?
The InChIKey is UUNVNLNSBQMOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O3/c1-4-12(5-2)16-13(17)11(3)19-14(10-15)6-8-18-9-7-14/h11-12H,4-10,15H2,1-3H3,(H,16,17).
What are the key properties of 2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide?
2-[4-(aminomethyl)oxan-4-yl]oxy-N-pentan-3-ylpropanamide has a molecular weight of 272.39 g/mol, XLogP of 1.20, 7 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-pentan-3-ylpropanamide is sourced from PubChem (CID 65051437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).