2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine

C8H15NO — CID 79177292

IUPAC2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1CCOC1
InChIInChI=1S/C8H15NO/c1-6(2)8(9)7-3-4-10-5-7/h7-8H,1,3-5,9H2,2H3
InChIKeyPYMRCFRTHZFZGC-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.93
Rot. Bonds2

About 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine

2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine (PubChem CID 79177292) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine
PubChem CID79177292
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1CCOC1
InChIInChI=1S/C8H15NO/c1-6(2)8(9)7-3-4-10-5-7/h7-8H,1,3-5,9H2,2H3
InChIKeyPYMRCFRTHZFZGC-UHFFFAOYSA-N
XLogP0.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.93
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 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine (CID 79177292) is 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine is C=C(C)C(N)C1CCOC1.
What is the InChIKey of 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine?
The InChIKey is PYMRCFRTHZFZGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)8(9)7-3-4-10-5-7/h7-8H,1,3-5,9H2,2H3.
What are the key properties of 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine?
2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine has a molecular weight of 141.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(oxolan-3-yl)prop-2-en-1-amine is sourced from PubChem (CID 79177292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).