N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide

C8H16N2O3 — CID 89007748

IUPACN-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide
SMILESCC1OCC(NC=O)C1OCCN
InChIInChI=1S/C8H16N2O3/c1-6-8(12-3-2-9)7(4-13-6)10-5-11/h5-8H,2-4,9H2,1H3,(H,10,11)
InChIKeyWRGZWOHKYDTFGL-UHFFFAOYSA-N
MW188.23 g/mol
LogP-1.14
Rot. Bonds5

About N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide

N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide (PubChem CID 89007748) has the molecular formula C8H16N2O3 and a molecular weight of 188.23 g/mol. Its IUPAC name is N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide.

Molecular Properties

Compound NameN-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide
PubChem CID89007748
Molecular FormulaC8H16N2O3
Molecular Weight188.23 g/mol
Exact Mass188.12
IUPAC NameN-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide
SMILESCC1OCC(NC=O)C1OCCN
InChIInChI=1S/C8H16N2O3/c1-6-8(12-3-2-9)7(4-13-6)10-5-11/h5-8H,2-4,9H2,1H3,(H,10,11)
InChIKeyWRGZWOHKYDTFGL-UHFFFAOYSA-N
XLogP-1.14
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2R,3S)-2-methyloxan-3-yl]formamide
CID 129044544
2-(2-aminoethoxy)oxolane-3,4-diol
CID 142369560
2-(2-aminoethoxy)oxolane-3,4-diol;ethanol
CID 142369559
4-(hydroxymethoxy)-5-methyloxolan-3-ol
CID 67613171
N-(4-hydroxyoxolan-3-yl)formamide
CID 127001792
N-[(3R,5S)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 122466966
N-[(3S,4R,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]formamide
CID 146573761
2-[(2S,3R,5R)-4-methoxy-5-(methoxymethyl)-2-methyloxolan-3-yl]oxyethanamine
CID 130187739
N-[(1R,2R)-2-hydroxycyclopropyl]formamide
CID 139383676
2-methyl-4-nitrosooxolane-3-carbaldehyde
CID 10240914
[(2R,3S,4R)-4-hydroxy-2-methyloxolan-3-yl] acetate
CID 56963742
N-(1,3-dioxolan-4-yl)formamide
CID 174963484

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide?
The IUPAC name of N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide (CID 89007748) is N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide.
What is the SMILES notation for N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide?
The canonical SMILES for N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide is CC1OCC(NC=O)C1OCCN.
What is the InChIKey of N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide?
The InChIKey is WRGZWOHKYDTFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O3/c1-6-8(12-3-2-9)7(4-13-6)10-5-11/h5-8H,2-4,9H2,1H3,(H,10,11).
What are the key properties of N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide?
N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide has a molecular weight of 188.23 g/mol, XLogP of -1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-aminoethoxy)-5-methyloxolan-3-yl]formamide is sourced from PubChem (CID 89007748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).