2,5-dimethyl-6-prop-2-enyloxan-3-amine

C10H19NO — CID 72993388

IUPAC2,5-dimethyl-6-prop-2-enyloxan-3-amine
SMILESC=CCC1OC(C)C(N)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-10-7(2)6-9(11)8(3)12-10/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyLVUKMPCLXMCFQK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.70
Rot. Bonds2

About 2,5-dimethyl-6-prop-2-enyloxan-3-amine

2,5-dimethyl-6-prop-2-enyloxan-3-amine (PubChem CID 72993388) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 2,5-dimethyl-6-prop-2-enyloxan-3-amine.

Molecular Properties

Compound Name2,5-dimethyl-6-prop-2-enyloxan-3-amine
PubChem CID72993388
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name2,5-dimethyl-6-prop-2-enyloxan-3-amine
SMILESC=CCC1OC(C)C(N)CC1C
InChIInChI=1S/C10H19NO/c1-4-5-10-7(2)6-9(11)8(3)12-10/h4,7-10H,1,5-6,11H2,2-3H3
InChIKeyLVUKMPCLXMCFQK-UHFFFAOYSA-N
XLogP1.70
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2,5-dimethyl-6-prop-2-enyloxan-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 2,5-dimethyl-6-prop-2-enyloxan-3-amine?
The IUPAC name of 2,5-dimethyl-6-prop-2-enyloxan-3-amine (CID 72993388) is 2,5-dimethyl-6-prop-2-enyloxan-3-amine.
What is the SMILES notation for 2,5-dimethyl-6-prop-2-enyloxan-3-amine?
The canonical SMILES for 2,5-dimethyl-6-prop-2-enyloxan-3-amine is C=CCC1OC(C)C(N)CC1C.
What is the InChIKey of 2,5-dimethyl-6-prop-2-enyloxan-3-amine?
The InChIKey is LVUKMPCLXMCFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-10-7(2)6-9(11)8(3)12-10/h4,7-10H,1,5-6,11H2,2-3H3.
What are the key properties of 2,5-dimethyl-6-prop-2-enyloxan-3-amine?
2,5-dimethyl-6-prop-2-enyloxan-3-amine has a molecular weight of 169.27 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-6-prop-2-enyloxan-3-amine is sourced from PubChem (CID 72993388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).