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

C13H26N2O — CID 176613077

IUPAC(2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
SMILESC=C[C@@]1(N)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H26N2O/c1-6-13(15)11(14)10(7-8(2)3)16-12(13)9(4)5/h6,8-12H,1,7,14-15H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyNIDGVSJGLOWWIX-FVCCEPFGSA-N
MW226.36 g/mol
LogP1.67
Rot. Bonds4

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

(2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine (PubChem CID 176613077) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
PubChem CID176613077
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name(2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
SMILESC=C[C@@]1(N)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C13H26N2O/c1-6-13(15)11(14)10(7-8(2)3)16-12(13)9(4)5/h6,8-12H,1,7,14-15H2,2-5H3/t10-,11-,12+,13-/m1/s1
InChIKeyNIDGVSJGLOWWIX-FVCCEPFGSA-N
XLogP1.67
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2S,3R,4S,5R)-3-ethenyl-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

Related Compounds

(2R,3R,4R,5S)-4-ethenyl-4-fluoro-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612815
(2R,3R,4R,5S)-4-fluoro-2-(2-methylpropyl)-4-propa-1,2-dienyl-5-propan-2-yloxolan-3-amine
CID 176613045
(2S,3R,4S,5R)-3-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine
CID 176612753
(2S,3R,4S,5R)-3-ethenyl-4-N,4-N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
CID 176612787
(2S,3R,4R,5R)-3-ethenyl-4-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
CID 176612802
(2S,3R,4R,5R)-3-N,3-N,4-N-trimethyl-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine
CID 176612821
(2R,3R,4R,5S)-4-chloro-4-ethenyl-2-(2-methylpropyl)-5-propan-2-yloxolan-3-amine
CID 176612834
(2S,3R,4S,5R)-3-ethenyl-3-N-methyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
CID 176612904
(2S,3S,4S,5R)-3-ethenyl-4-methoxy-5-(2-methylpropyl)-2-propan-2-yloxolan-3-amine
CID 176612925
(2S,3R,4S,5R)-3-ethenyl-3-N,3-N-dimethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
CID 176612946
(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
(2S,3R,4R,5R)-4-N-methyl-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine
CID 176613034

Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The IUPAC name of (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine (CID 176613077) is (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine.
What is the SMILES notation for (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The canonical SMILES for (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine is C=C[C@@]1(N)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C.
What is the InChIKey of (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The InChIKey is NIDGVSJGLOWWIX-FVCCEPFGSA-N. The full InChI is InChI=1S/C13H26N2O/c1-6-13(15)11(14)10(7-8(2)3)16-12(13)9(4)5/h6,8-12H,1,7,14-15H2,2-5H3/t10-,11-,12+,13-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
(2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine has a molecular weight of 226.36 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5R)-3-ethenyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine is sourced from PubChem (CID 176613077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).