2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine

C9H17NO — CID 82726390

IUPAC2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine
SMILESC=C(C)CNC1CCOC1C
InChIInChI=1S/C9H17NO/c1-7(2)6-10-9-4-5-11-8(9)3/h8-10H,1,4-6H2,2-3H3
InChIKeyJTRDRDISPXWWFQ-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.33
Rot. Bonds3

About 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine

2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine (PubChem CID 82726390) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine.

Molecular Properties

Compound Name2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine
PubChem CID82726390
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine
SMILESC=C(C)CNC1CCOC1C
InChIInChI=1S/C9H17NO/c1-7(2)6-10-9-4-5-11-8(9)3/h8-10H,1,4-6H2,2-3H3
InChIKeyJTRDRDISPXWWFQ-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
The IUPAC name of 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine (CID 82726390) is 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine.
What is the SMILES notation for 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
The canonical SMILES for 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine is C=C(C)CNC1CCOC1C.
What is the InChIKey of 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
The InChIKey is JTRDRDISPXWWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)6-10-9-4-5-11-8(9)3/h8-10H,1,4-6H2,2-3H3.
What are the key properties of 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine?
2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-methylprop-2-enyl)oxolan-3-amine is sourced from PubChem (CID 82726390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).