(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

C17H32N2O — CID 176612753

IUPAC(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
SMILESC=C=C[C@]1(NC)[C@H](C(C)C)O[C@H](CC(C)C)[C@H]1N(C)C
InChIInChI=1S/C17H32N2O/c1-9-10-17(18-6)15(19(7)8)14(11-12(2)3)20-16(17)13(4)5/h10,12-16,18H,1,11H2,2-8H3/t14-,15-,16+,17-/m1/s1
InChIKeyZSLOVAODOUXKNG-WCXIOVBPSA-N
MW280.46 g/mol
LogP2.69
Rot. Bonds6

About (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

(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 (PubChem CID 176612753) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID176612753
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name(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
SMILESC=C=C[C@]1(NC)[C@H](C(C)C)O[C@H](CC(C)C)[C@H]1N(C)C
InChIInChI=1S/C17H32N2O/c1-9-10-17(18-6)15(19(7)8)14(11-12(2)3)20-16(17)13(4)5/h10,12-16,18H,1,11H2,2-8H3/t14-,15-,16+,17-/m1/s1
InChIKeyZSLOVAODOUXKNG-WCXIOVBPSA-N
XLogP2.69
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C=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-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine?
The InChIKey is ZSLOVAODOUXKNG-WCXIOVBPSA-N. The full InChI is InChI=1S/C17H32N2O/c1-9-10-17(18-6)15(19(7)8)14(11-12(2)3)20-16(17)13(4)5/h10,12-16,18H,1,11H2,2-8H3/t14-,15-,16+,17-/m1/s1.
What are the key properties of (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?
(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 has a molecular weight of 280.46 g/mol, XLogP of 2.69, 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-N,4-N,4-N-trimethyl-5-(2-methylpropyl)-3-propa-1,2-dienyl-2-propan-2-yloxolane-3,4-diamine is sourced from PubChem (CID 176612753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).