N-(3-methylbut-2-enyl)oxetan-3-amine

C8H15NO — CID 107900082

IUPACN-(3-methylbut-2-enyl)oxetan-3-amine
SMILESCC(C)=CCNC1COC1
InChIInChI=1S/C8H15NO/c1-7(2)3-4-9-8-5-10-6-8/h3,8-9H,4-6H2,1-2H3
InChIKeyKAJASSZJXVWFIC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About N-(3-methylbut-2-enyl)oxetan-3-amine

N-(3-methylbut-2-enyl)oxetan-3-amine (PubChem CID 107900082) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3-methylbut-2-enyl)oxetan-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-2-enyl)oxetan-3-amine
PubChem CID107900082
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3-methylbut-2-enyl)oxetan-3-amine
SMILESCC(C)=CCNC1COC1
InChIInChI=1S/C8H15NO/c1-7(2)3-4-9-8-5-10-6-8/h3,8-9H,4-6H2,1-2H3
InChIKeyKAJASSZJXVWFIC-UHFFFAOYSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethoxyethyl)-3-methylbut-2-en-1-amine
CID 60061035
N-but-3-en-2-yl-3-methyloxetan-3-amine
CID 163763942
(E)-N-[(2S)-1-methoxypropan-2-yl]but-2-en-1-amine
CID 55298679
N-(1-methoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 60688533
N-(1-ethoxypropan-2-yl)-2-methylprop-2-en-1-amine
CID 62331544
N-prop-2-enyloxetan-3-amine
CID 63624368
1-methoxy-N-(2-methylprop-2-enyl)butan-2-amine
CID 64411750
N-prop-2-enyloxetan-3-amine;hydrochloride
CID 71432676
N-(2-methoxyethyl)-3-methylbut-2-en-1-amine
CID 78913895
N-(2-methylidenebutyl)oxetan-3-amine
CID 80108730
N-(2-methylprop-2-enyl)oxetan-3-amine
CID 80109462
N-(3-methoxybutan-2-yl)-3-methylbut-2-en-1-amine
CID 103522682

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-2-enyl)oxetan-3-amine?
The IUPAC name of N-(3-methylbut-2-enyl)oxetan-3-amine (CID 107900082) is N-(3-methylbut-2-enyl)oxetan-3-amine.
What is the SMILES notation for N-(3-methylbut-2-enyl)oxetan-3-amine?
The canonical SMILES for N-(3-methylbut-2-enyl)oxetan-3-amine is CC(C)=CCNC1COC1.
What is the InChIKey of N-(3-methylbut-2-enyl)oxetan-3-amine?
The InChIKey is KAJASSZJXVWFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(2)3-4-9-8-5-10-6-8/h3,8-9H,4-6H2,1-2H3.
What are the key properties of N-(3-methylbut-2-enyl)oxetan-3-amine?
N-(3-methylbut-2-enyl)oxetan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-2-enyl)oxetan-3-amine is sourced from PubChem (CID 107900082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).