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

C8H15NO — CID 117266328

IUPACN-methyl-2-(oxolan-2-yl)prop-2-en-1-amine
SMILESC=C(CNC)C1CCCO1
InChIInChI=1S/C8H15NO/c1-7(6-9-2)8-4-3-5-10-8/h8-9H,1,3-6H2,2H3
InChIKeyMXEFCVRWYBVNLL-UHFFFAOYSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

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

N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine (PubChem CID 117266328) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-2-(oxolan-2-yl)prop-2-en-1-amine
PubChem CID117266328
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC NameN-methyl-2-(oxolan-2-yl)prop-2-en-1-amine
SMILESC=C(CNC)C1CCCO1
InChIInChI=1S/C8H15NO/c1-7(6-9-2)8-4-3-5-10-8/h8-9H,1,3-6H2,2H3
InChIKeyMXEFCVRWYBVNLL-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'}

Analyze N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-2-(3-methylideneoxolan-2-yl)ethanamine
CID 163803154
2-methylidene-N-[2-(oxolan-2-yl)ethyl]butan-1-amine
CID 66044016
(2E)-N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 82838797
3-methyl-N-[2-(oxolan-2-yl)ethyl]but-3-en-1-amine
CID 114472115
N-methyl-2-[(5-methyloxolan-2-yl)methylidene]butan-1-amine
CID 115278830
2-(Oxolan-2-yl)prop-2-en-1-amine
CID 117266327
N-methyl-2-(oxan-2-yl)prop-2-en-1-amine
CID 117266342
N-methyl-3-(oxolan-2-yl)but-3-en-1-amine
CID 117268486

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine?
The IUPAC name of N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine (CID 117266328) is N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine?
The canonical SMILES for N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine is C=C(CNC)C1CCCO1.
What is the InChIKey of N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine?
The InChIKey is MXEFCVRWYBVNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-7(6-9-2)8-4-3-5-10-8/h8-9H,1,3-6H2,2H3.
What are the key properties of N-methyl-2-(oxolan-2-yl)prop-2-en-1-amine?
N-methyl-2-(oxolan-2-yl)prop-2-en-1-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-methyl-2-(oxolan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 117266328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).