4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide

C12H22N2O3 — CID 63363409

IUPAC4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CCCOC2)CCOCC1
InChIInChI=1S/C12H22N2O3/c13-9-12(3-6-16-7-4-12)11(15)14-10-2-1-5-17-8-10/h10H,1-9,13H2,(H,14,15)
InChIKeyVKNSZVQVKQZYQR-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.04
Rot. Bonds3

About 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide

4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide (PubChem CID 63363409) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
PubChem CID63363409
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide
SMILESNCC1(C(=O)NC2CCCOC2)CCOCC1
InChIInChI=1S/C12H22N2O3/c13-9-12(3-6-16-7-4-12)11(15)14-10-2-1-5-17-8-10/h10H,1-9,13H2,(H,14,15)
InChIKeyVKNSZVQVKQZYQR-UHFFFAOYSA-N
XLogP0.04
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aminomethyl)-N-(oxan-4-yl)cyclobutane-1-carboxamide
CID 80588748
1-(aminomethyl)-N-(oxetan-3-yl)cyclopropane-1-carboxamide
CID 115453516
4-carbamothioyl-N-(oxan-3-yl)oxane-4-carboxamide
CID 63361491
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-4-(aminomethyl)oxane-4-carboxamide;hydrochloride
CID 120935393
4-(aminomethyl)-N-[1-(cyclopropylmethyl)piperidin-4-yl]oxane-4-carboxamide;dihydrochloride
CID 120939451
4-(aminomethyl)-N-[(1S,2S)-2-hydroxycyclohexyl]oxane-4-carboxamide
CID 107221619
4-(aminomethyl)-N-(2,2-dimethylcyclopentyl)oxane-4-carboxamide
CID 79870065
4-(aminomethyl)-N-[2-(cyclohexylamino)-2-oxoethyl]oxane-4-carboxamide;hydrochloride
CID 120929053
4-(aminomethyl)-N-(1-cyclopentylpyrrolidin-3-yl)oxane-4-carboxamide;dihydrochloride
CID 120941198
1-(aminomethyl)-N-(oxan-3-ylmethyl)cyclopropane-1-carboxamide
CID 80588032
3-ethyl-N-(oxan-3-yl)pyrrolidine-3-carboxamide
CID 63361296
4-(aminomethyl)-N-(2-methylcyclopropyl)oxane-4-carboxamide
CID 62396747

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide (CID 63363409) is 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide is NCC1(C(=O)NC2CCCOC2)CCOCC1.
What is the InChIKey of 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide?
The InChIKey is VKNSZVQVKQZYQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c13-9-12(3-6-16-7-4-12)11(15)14-10-2-1-5-17-8-10/h10H,1-9,13H2,(H,14,15).
What are the key properties of 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide?
4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide has a molecular weight of 242.32 g/mol, XLogP of 0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-(oxan-3-yl)oxane-4-carboxamide is sourced from PubChem (CID 63363409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).