N-but-3-en-2-yl-3-methyloxetan-3-amine

C8H15NO — CID 163763942

IUPACN-but-3-en-2-yl-3-methyloxetan-3-amine
SMILESC=CC(C)NC1(C)COC1
InChIInChI=1S/C8H15NO/c1-4-7(2)9-8(3)5-10-6-8/h4,7,9H,1,5-6H2,2-3H3
InChIKeyMAPGKGONFNKFGQ-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About N-but-3-en-2-yl-3-methyloxetan-3-amine

N-but-3-en-2-yl-3-methyloxetan-3-amine (PubChem CID 163763942) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-but-3-en-2-yl-3-methyloxetan-3-amine.

Molecular Properties

Compound NameN-but-3-en-2-yl-3-methyloxetan-3-amine
PubChem CID163763942
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-but-3-en-2-yl-3-methyloxetan-3-amine
SMILESC=CC(C)NC1(C)COC1
InChIInChI=1S/C8H15NO/c1-4-7(2)9-8(3)5-10-6-8/h4,7,9H,1,5-6H2,2-3H3
InChIKeyMAPGKGONFNKFGQ-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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Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-yl-3-methyloxetan-3-amine?
The IUPAC name of N-but-3-en-2-yl-3-methyloxetan-3-amine (CID 163763942) is N-but-3-en-2-yl-3-methyloxetan-3-amine.
What is the SMILES notation for N-but-3-en-2-yl-3-methyloxetan-3-amine?
The canonical SMILES for N-but-3-en-2-yl-3-methyloxetan-3-amine is C=CC(C)NC1(C)COC1.
What is the InChIKey of N-but-3-en-2-yl-3-methyloxetan-3-amine?
The InChIKey is MAPGKGONFNKFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-7(2)9-8(3)5-10-6-8/h4,7,9H,1,5-6H2,2-3H3.
What are the key properties of N-but-3-en-2-yl-3-methyloxetan-3-amine?
N-but-3-en-2-yl-3-methyloxetan-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-but-3-en-2-yl-3-methyloxetan-3-amine is sourced from PubChem (CID 163763942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).