(3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine

C10H19NO2 — CID 102175146

IUPAC(3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine
SMILESC=CCN[C@H]1[C@H](OC)COC1(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-11-9-8(12-4)7-13-10(9,2)3/h5,8-9,11H,1,6-7H2,2-4H3/t8-,9+/m1/s1
InChIKeyBTBKUVCADFBGBS-BDAKNGLRSA-N
MW185.27 g/mol
LogP0.95
Rot. Bonds4

About (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine

(3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine (PubChem CID 102175146) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine
PubChem CID102175146
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name(3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine
SMILESC=CCN[C@H]1[C@H](OC)COC1(C)C
InChIInChI=1S/C10H19NO2/c1-5-6-11-9-8(12-4)7-13-10(9,2)3/h5,8-9,11H,1,6-7H2,2-4H3/t8-,9+/m1/s1
InChIKeyBTBKUVCADFBGBS-BDAKNGLRSA-N
XLogP0.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-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 (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine?
The IUPAC name of (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine (CID 102175146) is (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine?
The canonical SMILES for (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine is C=CCN[C@H]1[C@H](OC)COC1(C)C.
What is the InChIKey of (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine?
The InChIKey is BTBKUVCADFBGBS-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-6-11-9-8(12-4)7-13-10(9,2)3/h5,8-9,11H,1,6-7H2,2-4H3/t8-,9+/m1/s1.
What are the key properties of (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine?
(3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine has a molecular weight of 185.27 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-methoxy-2,2-dimethyl-N-prop-2-enyloxolan-3-amine is sourced from PubChem (CID 102175146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).