(2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine

C14H26N2O — CID 176613245

IUPAC(2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine
SMILESC=C=C[C@@]1(N)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H26N2O/c1-6-7-14(16)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13H,1,8,15-16H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyUAIHIUGJMQWTAC-YIYPIFLZSA-N
MW238.37 g/mol
LogP1.82
Rot. Bonds4

About (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine

(2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine (PubChem CID 176613245) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine.

Molecular Properties

Compound Name(2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine
PubChem CID176613245
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC Name(2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine
SMILESC=C=C[C@@]1(N)[C@H](N)[C@@H](CC(C)C)O[C@H]1C(C)C
InChIInChI=1S/C14H26N2O/c1-6-7-14(16)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13H,1,8,15-16H2,2-5H3/t11-,12-,13+,14-/m1/s1
InChIKeyUAIHIUGJMQWTAC-YIYPIFLZSA-N
XLogP1.82
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine?
The IUPAC name of (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine (CID 176613245) is (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine.
What is the SMILES notation for (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine?
The canonical SMILES for (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine is C=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)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine?
The InChIKey is UAIHIUGJMQWTAC-YIYPIFLZSA-N. The full InChI is InChI=1S/C14H26N2O/c1-6-7-14(16)12(15)11(8-9(2)3)17-13(14)10(4)5/h7,9-13H,1,8,15-16H2,2-5H3/t11-,12-,13+,14-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine?
(2S,3R,4S,5R)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine has a molecular weight of 238.37 g/mol, XLogP of 1.82, 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)-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine is sourced from PubChem (CID 176613245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).