(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine

C9H17NO — CID 59552180

IUPAC(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
SMILESC=CC[C@H]1CC[C@@H](N)[C@@H](C)O1
InChIInChI=1S/C9H17NO/c1-3-4-8-5-6-9(10)7(2)11-8/h3,7-9H,1,4-6,10H2,2H3/t7-,8+,9-/m1/s1
InChIKeySJPCYEHGKNPXGW-HRDYMLBCSA-N
MW155.24 g/mol
LogP1.46
Rot. Bonds2

About (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine

(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine (PubChem CID 59552180) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine.

Molecular Properties

Compound Name(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
PubChem CID59552180
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine
SMILESC=CC[C@H]1CC[C@@H](N)[C@@H](C)O1
InChIInChI=1S/C9H17NO/c1-3-4-8-5-6-9(10)7(2)11-8/h3,7-9H,1,4-6,10H2,2H3/t7-,8+,9-/m1/s1
InChIKeySJPCYEHGKNPXGW-HRDYMLBCSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,3R,6R)-2-methyl-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 (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
The IUPAC name of (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine (CID 59552180) is (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine.
What is the SMILES notation for (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
The canonical SMILES for (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine is C=CC[C@H]1CC[C@@H](N)[C@@H](C)O1.
What is the InChIKey of (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
The InChIKey is SJPCYEHGKNPXGW-HRDYMLBCSA-N. The full InChI is InChI=1S/C9H17NO/c1-3-4-8-5-6-9(10)7(2)11-8/h3,7-9H,1,4-6,10H2,2H3/t7-,8+,9-/m1/s1.
What are the key properties of (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine?
(2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine has a molecular weight of 155.24 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,6R)-2-methyl-6-prop-2-enyloxan-3-amine is sourced from PubChem (CID 59552180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).