(2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine

C16H32N2O — CID 176612955

IUPAC(2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
SMILESC=C[C@]1(NC)[C@H](C(C)C)O[C@H](CC(C)C)[C@H]1N(C)C
InChIInChI=1S/C16H32N2O/c1-9-16(17-6)14(18(7)8)13(10-11(2)3)19-15(16)12(4)5/h9,11-15,17H,1,10H2,2-8H3/t13-,14-,15+,16-/m1/s1
InChIKeyGIHLDOAMGPJPEY-LVQVYYBASA-N
MW268.44 g/mol
LogP2.53
Rot. Bonds6

About (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine

(2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine (PubChem CID 176612955) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
PubChem CID176612955
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name(2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
SMILESC=C[C@]1(NC)[C@H](C(C)C)O[C@H](CC(C)C)[C@H]1N(C)C
InChIInChI=1S/C16H32N2O/c1-9-16(17-6)14(18(7)8)13(10-11(2)3)19-15(16)12(4)5/h9,11-15,17H,1,10H2,2-8H3/t13-,14-,15+,16-/m1/s1
InChIKeyGIHLDOAMGPJPEY-LVQVYYBASA-N
XLogP2.53
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine 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 (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The IUPAC name of (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine (CID 176612955) is (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine.
What is the SMILES notation for (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The canonical SMILES for (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine is C=C[C@]1(NC)[C@H](C(C)C)O[C@H](CC(C)C)[C@H]1N(C)C.
What is the InChIKey of (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The InChIKey is GIHLDOAMGPJPEY-LVQVYYBASA-N. The full InChI is InChI=1S/C16H32N2O/c1-9-16(17-6)14(18(7)8)13(10-11(2)3)19-15(16)12(4)5/h9,11-15,17H,1,10H2,2-8H3/t13-,14-,15+,16-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
(2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine has a molecular weight of 268.44 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3-ethenyl-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine is sourced from PubChem (CID 176612955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).