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

C17H34N2O — CID 176612720

IUPAC(2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
SMILESC=C[C@]1(N(C)C)[C@H](C(C)C)O[C@H](CC(C)C)[C@H]1N(C)C
InChIInChI=1S/C17H34N2O/c1-10-17(19(8)9)15(18(6)7)14(11-12(2)3)20-16(17)13(4)5/h10,12-16H,1,11H2,2-9H3/t14-,15-,16+,17-/m1/s1
InChIKeyAKBZELKMIIHNGU-WCXIOVBPSA-N
MW282.47 g/mol
LogP2.87
Rot. Bonds6

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

(2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine (PubChem CID 176612720) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is (2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine.

Molecular Properties

Compound Name(2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
PubChem CID176612720
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name(2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine
SMILESC=C[C@]1(N(C)C)[C@H](C(C)C)O[C@H](CC(C)C)[C@H]1N(C)C
InChIInChI=1S/C17H34N2O/c1-10-17(19(8)9)15(18(6)7)14(11-12(2)3)20-16(17)13(4)5/h10,12-16H,1,11H2,2-9H3/t14-,15-,16+,17-/m1/s1
InChIKeyAKBZELKMIIHNGU-WCXIOVBPSA-N
XLogP2.87
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.87
H-Bond Donors ≤ 50
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,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-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-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The IUPAC name of (2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine (CID 176612720) is (2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine.
What is the SMILES notation for (2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The canonical SMILES for (2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine is C=C[C@]1(N(C)C)[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,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
The InChIKey is AKBZELKMIIHNGU-WCXIOVBPSA-N. The full InChI is InChI=1S/C17H34N2O/c1-10-17(19(8)9)15(18(6)7)14(11-12(2)3)20-16(17)13(4)5/h10,12-16H,1,11H2,2-9H3/t14-,15-,16+,17-/m1/s1.
What are the key properties of (2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine?
(2S,3R,4S,5R)-3-ethenyl-3-N,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine has a molecular weight of 282.47 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 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,3-N,4-N,4-N-tetramethyl-5-(2-methylpropyl)-2-propan-2-yloxolane-3,4-diamine is sourced from PubChem (CID 176612720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).