N-(3-methylbut-1-en-2-yl)oxetan-3-amine

C8H15NO — CID 154962540

IUPACN-(3-methylbut-1-en-2-yl)oxetan-3-amine
SMILESC=C(NC1COC1)C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)7(3)9-8-4-10-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyQTESNCWQXRNYLW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.14
Rot. Bonds3

About N-(3-methylbut-1-en-2-yl)oxetan-3-amine

N-(3-methylbut-1-en-2-yl)oxetan-3-amine (PubChem CID 154962540) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-(3-methylbut-1-en-2-yl)oxetan-3-amine.

Molecular Properties

Compound NameN-(3-methylbut-1-en-2-yl)oxetan-3-amine
PubChem CID154962540
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-(3-methylbut-1-en-2-yl)oxetan-3-amine
SMILESC=C(NC1COC1)C(C)C
InChIInChI=1S/C8H15NO/c1-6(2)7(3)9-8-4-10-5-8/h6,8-9H,3-5H2,1-2H3
InChIKeyQTESNCWQXRNYLW-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3-methylbut-1-en-2-yl)oxetan-3-amine?
The IUPAC name of N-(3-methylbut-1-en-2-yl)oxetan-3-amine (CID 154962540) is N-(3-methylbut-1-en-2-yl)oxetan-3-amine.
What is the SMILES notation for N-(3-methylbut-1-en-2-yl)oxetan-3-amine?
The canonical SMILES for N-(3-methylbut-1-en-2-yl)oxetan-3-amine is C=C(NC1COC1)C(C)C.
What is the InChIKey of N-(3-methylbut-1-en-2-yl)oxetan-3-amine?
The InChIKey is QTESNCWQXRNYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7(3)9-8-4-10-5-8/h6,8-9H,3-5H2,1-2H3.
What are the key properties of N-(3-methylbut-1-en-2-yl)oxetan-3-amine?
N-(3-methylbut-1-en-2-yl)oxetan-3-amine has a molecular weight of 141.21 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbut-1-en-2-yl)oxetan-3-amine is sourced from PubChem (CID 154962540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).