N-ethyl-2-(oxetan-3-ylidene)ethanamine

C7H13NO — CID 141356196

IUPACN-ethyl-2-(oxetan-3-ylidene)ethanamine
SMILESCCNCC=C1COC1
InChIInChI=1S/C7H13NO/c1-2-8-4-3-7-5-9-6-7/h3,8H,2,4-6H2,1H3
InChIKeyPKMTVPDOMRZUIM-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds3

About N-ethyl-2-(oxetan-3-ylidene)ethanamine

N-ethyl-2-(oxetan-3-ylidene)ethanamine (PubChem CID 141356196) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N-ethyl-2-(oxetan-3-ylidene)ethanamine.

Molecular Properties

Compound NameN-ethyl-2-(oxetan-3-ylidene)ethanamine
PubChem CID141356196
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN-ethyl-2-(oxetan-3-ylidene)ethanamine
SMILESCCNCC=C1COC1
InChIInChI=1S/C7H13NO/c1-2-8-4-3-7-5-9-6-7/h3,8H,2,4-6H2,1H3
InChIKeyPKMTVPDOMRZUIM-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-ethyl-4-methoxybut-2-en-1-amine
CID 54229708
3-(2-Ethoxyethylidene)azetidine
CID 54409560
4-methoxy-N-methylbut-2-en-1-amine
CID 54452515
(E)-4-methoxy-N-methylbut-2-en-1-amine
CID 58916002
(E)-N-ethyl-4-methoxybut-2-en-1-amine
CID 87917605
(Z)-1-methoxy-N,2-dimethylbut-2-en-1-amine
CID 143962949
(E)-4-methoxy-3-methylbut-2-en-1-amine
CID 63969256
4-Methoxy-3-methylbut-2-en-1-amine
CID 76997092
3-(methoxymethyl)-2,5-dihydro-1H-pyrrole
CID 105427014
3-(ethoxymethyl)-2,5-dihydro-1H-pyrrole
CID 105427322
2-(Oxetan-3-ylidene)ethanamine
CID 115011031
3-(1-Methoxypropan-2-ylidene)azetidine
CID 116092375

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(oxetan-3-ylidene)ethanamine?
The IUPAC name of N-ethyl-2-(oxetan-3-ylidene)ethanamine (CID 141356196) is N-ethyl-2-(oxetan-3-ylidene)ethanamine.
What is the SMILES notation for N-ethyl-2-(oxetan-3-ylidene)ethanamine?
The canonical SMILES for N-ethyl-2-(oxetan-3-ylidene)ethanamine is CCNCC=C1COC1.
What is the InChIKey of N-ethyl-2-(oxetan-3-ylidene)ethanamine?
The InChIKey is PKMTVPDOMRZUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-2-8-4-3-7-5-9-6-7/h3,8H,2,4-6H2,1H3.
What are the key properties of N-ethyl-2-(oxetan-3-ylidene)ethanamine?
N-ethyl-2-(oxetan-3-ylidene)ethanamine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(oxetan-3-ylidene)ethanamine is sourced from PubChem (CID 141356196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).